Organism

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Organism

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Chemical Name: Benzonitrile, 4-[(1E,3E)-4-[5-[[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]phosphino]-1,3-dioxan-2-yl]-1,3-butadienyl]-			Synonyms		AIDS# 113441
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113441

C27 H27 F2 N4 O3 P		MW: 524.51			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 8	PHIA (Flexible Bonds): 8.93	Calc. LogP (MDL QSAR): 5.33
Company:			Calc. LogP (KowWin): 3.7
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 2 (Score, out of 4)
Classes: ANTIFUNGALS

Anti-Opportunistic Infection Data Summary

IVT ORGANISM	ENZYME NAME	ENZYME ACTIVITY	INHIBITION ACTIVITY	IVT OTHER ACTIVITY	IVV ORGANISM	*MODEL*	IVV ACTIVITY	*LIT. REF. #*	ALL OI Data
Candida albicans			4-HIGH ACTIVITY					8625	View
Cryptococcus neoformans			4-HIGH ACTIVITY					8625	View

Chemical Name: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(2,4-difluorophenyl)-.alpha.-[(1R)-1-[(2-phenyl-1,3-dioxan-5-yl)phosphino]ethyl]-, (a1R)-			Synonyms		AIDS# 113630
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113630

C22 H24 F2 N3 O3 P		MW: 447.42			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 7	PHIA (Flexible Bonds): 6.74	Calc. LogP (MDL QSAR): 2.98
Company:			Calc. LogP (KowWin): 2.62
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 4 (Score, out of 4)
Classes: ANTIFUNGALS; TRIAZOLES

Anti-Opportunistic Infection Data Summary

IVT ORGANISM	ENZYME NAME	ENZYME ACTIVITY	INHIBITION ACTIVITY	IVT OTHER ACTIVITY	IVV ORGANISM	*MODEL*	IVV ACTIVITY	*LIT. REF. #*	ALL OI Data
Candida albicans			4-HIGH ACTIVITY					8625	View
Cryptococcus neoformans			4-HIGH ACTIVITY					8625	View

Chemical Name: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(2,4-difluorophenyl)-.alpha.-[(1R)-1-[[2-(phenylmethyl)-1,3-dioxan-5-yl]phosphino]ethyl]-, (a1R)-			Synonyms		AIDS# 113631
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113631

C23 H26 F2 N3 O3 P		MW: 461.45			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 7	PHIA (Flexible Bonds): 7.28	Calc. LogP (MDL QSAR): 3.27
Company:			Calc. LogP (KowWin): 3.11
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 4 (Score, out of 4)
Classes: ANTIFUNGALS; TRIAZOLES

Anti-Opportunistic Infection Data Summary

IVT ORGANISM	ENZYME NAME	ENZYME ACTIVITY	INHIBITION ACTIVITY	IVT OTHER ACTIVITY	IVV ORGANISM	*MODEL*	IVV ACTIVITY	*LIT. REF. #*	ALL OI Data
Candida albicans			4-HIGH ACTIVITY					8625	View
Cryptococcus neoformans			4-HIGH ACTIVITY					8625	View

Chemical Name: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(2,4-difluorophenyl)-.alpha.-[(1R)-1-[[2-(2-phenylethyl)-1,3-dioxan-5-yl]phosphino]ethyl]-, (a1R)-			Synonyms		AIDS# 113632
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113632

C24 H28 F2 N3 O3 P		MW: 475.47			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 7	PHIA (Flexible Bonds): 7.83	Calc. LogP (MDL QSAR): 3.59
Company:			Calc. LogP (KowWin): 3.6
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 4 (Score, out of 4)
Classes: ANTIFUNGALS; TRIAZOLES

Anti-Opportunistic Infection Data Summary

IVT ORGANISM	ENZYME NAME	ENZYME ACTIVITY	INHIBITION ACTIVITY	IVT OTHER ACTIVITY	IVV ORGANISM	*MODEL*	IVV ACTIVITY	*LIT. REF. #*	ALL OI Data
Candida albicans			4-HIGH ACTIVITY					8625	View
Cryptococcus neoformans			4-HIGH ACTIVITY					8625	View

Chemical Name: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(2,4-difluorophenyl)-.alpha.-[(1R)-1-[[2-[(1E,3E)-4-phenyl-1,3-butadienyl]-1,3-dioxan-5-yl]phosphino]ethyl]-, (a1R)-			Synonyms		AIDS# 113633
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113633

C26 H28 F2 N3 O3 P		MW: 499.5			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 7	PHIA (Flexible Bonds): 8.55	Calc. LogP (MDL QSAR): 4.55
Company:			Calc. LogP (KowWin): 4.16
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 4 (Score, out of 4)
Classes: ANTIFUNGALS; TRIAZOLES

Anti-Opportunistic Infection Data Summary

IVT ORGANISM	ENZYME NAME	ENZYME ACTIVITY	INHIBITION ACTIVITY	IVT OTHER ACTIVITY	IVV ORGANISM	*MODEL*	IVV ACTIVITY	*LIT. REF. #*	ALL OI Data
Candida albicans			4-HIGH ACTIVITY					8625	View
Cryptococcus neoformans			4-HIGH ACTIVITY					8625	View

Chemical Name: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(2,4-difluorophenyl)-.alpha.-[(1R)-1-[[2-[(1E,3E)-4-[4-(trifluoromethyl)phenyl]-1,3-butadienyl]-1,3-dioxan-5-yl]phosphino]ethyl]-, (a1R)-			Synonyms		AIDS# 113634
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113634

C27 H27 F5 N3 O3 P		MW: 567.49			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 10	PHIA (Flexible Bonds): 9.3	Calc. LogP (MDL QSAR): 5.94
Company:			Calc. LogP (KowWin): 5.12
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 2 (Score, out of 4)
Classes: ANTIFUNGALS; TRIAZOLES

Anti-Opportunistic Infection Data Summary

IVT ORGANISM	ENZYME NAME	ENZYME ACTIVITY	INHIBITION ACTIVITY	IVT OTHER ACTIVITY	IVV ORGANISM	*MODEL*	IVV ACTIVITY	*LIT. REF. #*	ALL OI Data
Candida albicans			4-HIGH ACTIVITY					8625	View
Cryptococcus neoformans			4-HIGH ACTIVITY					8625	View

Chemical Name: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(2,4-difluorophenyl)-.alpha.-[(1R)-1-[[2-[(1E,3E)-4-[4-(trifluoromethoxy)phenyl]-1,3-butadienyl]-1,3-dioxan-5-yl]phosphino]ethyl]-, (a1R)-			Synonyms		AIDS# 113635
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113635

C27 H27 F5 N3 O4 P		MW: 583.49			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 11	PHIA (Flexible Bonds): 9.83	Calc. LogP (MDL QSAR): 6.32
Company:			Calc. LogP (KowWin): 5.2
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 1 (Score, out of 4)
Classes: ANTIFUNGALS; TRIAZOLES

Anti-Opportunistic Infection Data Summary

IVT ORGANISM	ENZYME NAME	ENZYME ACTIVITY	INHIBITION ACTIVITY	IVT OTHER ACTIVITY	IVV ORGANISM	*MODEL*	IVV ACTIVITY	*LIT. REF. #*	ALL OI Data
Candida albicans			4-HIGH ACTIVITY					8625	View
Cryptococcus neoformans			4-HIGH ACTIVITY					8625	View

Chemical Name: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(2,4-difluorophenyl)-.alpha.-[(1R)-1-[[2-[(1E,3E)-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-butadienyl]-1,3-dioxan-5-yl]phosphino]ethyl]-, (a1R)-			Synonyms R-102557		AIDS# 113636
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113636

C29 H30 F6 N3 O4 P		MW: 629.54			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 12	PHIA (Flexible Bonds): 11.16	Calc. LogP (MDL QSAR): 6.81
Company:			Calc. LogP (KowWin): 5.5
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 1 (Score, out of 4)
Classes: ANTIFUNGALS; TRIAZOLES

Anti-Opportunistic Infection Data Summary

IVT ORGANISM	ENZYME NAME	ENZYME ACTIVITY	INHIBITION ACTIVITY	IVT OTHER ACTIVITY	IVV ORGANISM	*MODEL*	IVV ACTIVITY	*LIT. REF. #*	ALL OI Data
Candida albicans			4-HIGH ACTIVITY					8625	View
Cryptococcus neoformans			4-HIGH ACTIVITY					8625	View

Chemical Name: 1H-1,2,4-Triazole-1-ethanol, .alpha.-[(1R)-1-[[2-[(1E,3E)-4-(4-chlorophenyl)-1,3-butadienyl]-1,3-dioxan-5-yl]phosphino]ethyl]-.alpha.-(2,4-difluorophenyl)-, (a1R)-			Synonyms		AIDS# 113637
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113637

C26 H27 Cl F2 N3 O3 P		MW: 533.94			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 8	PHIA (Flexible Bonds): 9.01	Calc. LogP (MDL QSAR): 4.79
Company:			Calc. LogP (KowWin): 4.8
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 3 (Score, out of 4)
Classes: ANTIFUNGALS; TRIAZOLES

Anti-Opportunistic Infection Data Summary

IVT ORGANISM	ENZYME NAME	ENZYME ACTIVITY	INHIBITION ACTIVITY	IVT OTHER ACTIVITY	IVV ORGANISM	*MODEL*	IVV ACTIVITY	*LIT. REF. #*	ALL OI Data
Candida albicans			4-HIGH ACTIVITY					8625	View
Cryptococcus neoformans			4-HIGH ACTIVITY					8625	View

Chemical Name: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(2,4-difluorophenyl)-.alpha.-[(1R)-1-[[2-[(1E,3E)-4-(2,4-difluorophenyl)-1,3-butadienyl]-1,3-dioxan-5-yl]phosphino]ethyl]-, (a1R)-			Synonyms		AIDS# 113638
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113638

C26 H26 F4 N3 O3 P		MW: 535.48			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 9	PHIA (Flexible Bonds): 8.89	Calc. LogP (MDL QSAR): 4.84
Company:			Calc. LogP (KowWin): 4.56
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 3 (Score, out of 4)
Classes: ANTIFUNGALS; TRIAZOLES

Anti-Opportunistic Infection Data Summary

IVT ORGANISM	ENZYME NAME	ENZYME ACTIVITY	INHIBITION ACTIVITY	IVT OTHER ACTIVITY	IVV ORGANISM	*MODEL*	IVV ACTIVITY	*LIT. REF. #*	ALL OI Data
Candida albicans			4-HIGH ACTIVITY					8625	View
Cryptococcus neoformans			4-HIGH ACTIVITY					8625	View

NIAID Home / Anti-Opportunistic Infection Search / Anti-Opportunistic Infection Results / Alternate View