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Organism

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Chemical Name: 4H-1-Benzopyran-4-one, 8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)			Synonyms Amentoflavone		AIDS# 000485
					Links to ChemID Plus by CAS# 1617-53-4
					Links to PubChem by AIDS# 000485
ISOLATED FROM HYPERICUM PERFORATUM, CALOPHYLLUM BRASILIENSE; PART USED: LEAF
C30 H18 O10		MW: 538.46			Links to PubMed by CAS#
H-bond donors: 6	H-bond acceptors: 10	PHIA (Flexible Bonds): 6.11	Calc. LogP (MDL QSAR): 5.91
Company: MEDICHEM RESEARCH/ADVANCED LIFE SCIENCES			Calc. LogP (KowWin): 3.87
Lines of Data: 3	Lines of Data: 5	Lines of Data: 48	TB Min MIC > 12.5 ug/mL	TB Min IC50 > 12.5 ug/mL	Links to NIST by AIDS#
Number of References: 3	Number of References: 5	Number of References: 9	Lipinski: 1 (Score, out of 4)
Classes: NON-PEPTIDIC HIV PROTEASE INHIBITORS; CHROMONES; FLAVONOIDS

Chemical Name: L-Aspartamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N1-[3-[2-[(1,1-dimethylethoxy)carbonyl]-1-pyrrolidinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, [2S-[1(1R,2S),2R*]]-			Synonyms Benzyloxycarbonyl-LeuAsnPhe[hydroxyethyl]Proline-tertbutyl ester BzOCLeuAsnPhe[CHOHCH2]ProOtBu		AIDS# 000701
					Links to ChemID Plus by CAS# 127749-92-2
					Links to PubChem by AIDS# 000701

C37 H53 N5 O8		MW: 695.85			Links to PubMed by CAS#
H-bond donors: 5	H-bond acceptors: 13	PHIA (Flexible Bonds): 16.16	Calc. LogP (MDL QSAR): 5.75
Company: ROCHE			Calc. LogP (KowWin): 2.02
Anti-HIV Cellular data: 0	Lines of Data: 1	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 1	Number of References: 0	Lipinski: 1 (Score, out of 4)
Classes: NON-PEPTIDIC HIV PROTEASE INHIBITORS

Chemical Name: 5,6,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one			Synonyms Baicalein 5, 6, 7-Trihydroxyflavone Sho-saiko-to NSC661431		AIDS# 000731
					Links to ChemID Plus by CAS# 491-67-8
					Links to PubChem by AIDS# 000731
ISOLATED FROM SCUTELLARIA BAICALENSIS (SCUTELLARIAE) (SHO-SAIKO-TO)
C15 H10 O5		MW: 270.24			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 5	PHIA (Flexible Bonds): 2.96	Calc. LogP (MDL QSAR): 3.12
Company: TSUMURA			Calc. LogP (KowWin): 0.85
Lines of Data: 4	Lines of Data: 27	Lines of Data: 25	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 4	Number of References: 13	Number of References: 6	Lipinski: 4 (Score, out of 4)
Classes: NATURAL PRODUCTS, PLANT; NON-PEPTIDIC HIV PROTEASE INHIBITORS; CHROMONES; FLAVONOIDS

Chemical Name: (4R,5S,6S,7R)-1,3,4,7-Tetrabenzyl-2-imino-[1,3]diazepane-5,6-diol			Synonyms		AIDS# 000778
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 000778

C33 H35 N3 O2		MW: 505.66			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 5	PHIA (Flexible Bonds): 8.41	Calc. LogP (MDL QSAR): 4.61
Company:			Calc. LogP (KowWin): 5.59
Anti-HIV Cellular data: 0	Lines of Data: 1	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 1	Number of References: 0	Lipinski: 3 (Score, out of 4)
Classes: NON-PEPTIDIC HIV PROTEASE INHIBITORS; UREAS, CYCLIC; DIAZEPINONES

Chemical Name: 2-Pyridinesulfonamide, N-[3-[cyclopropyl[4-hydroxy-2-oxo-6-[1-(phenylmethyl)propyl]-2H-pyran-3-yl]methyl]phenyl]-, [R-(R,R)]-			Synonyms N-(3-R)-[Cyclopropyl-[6-[1-(R)-ethylphenethyl)-4-hydroxy-2-oxo-2H-pyran-3-yl)methyl]phenyl)-2-pyridinesulfonamide 3(Pyridine-SO2NHBz)-4OH-2Pyranone deriv.		AIDS# 000904
					Links to ChemID Plus by CAS# 174483-77-3
					Links to PubChem by AIDS# 000904
DIASTEREOISOMER OF 044428
C30 H30 N2 O5 S		MW: 530.64			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 7	PHIA (Flexible Bonds): 7.67	Calc. LogP (MDL QSAR): 5.59
Company: PHARMACIA & UPJOHN			Calc. LogP (KowWin): 5.44
Anti-HIV Cellular data: 0	Lines of Data: 1	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 1	Number of References: 0	Lipinski: 2 (Score, out of 4)
Classes: NON-PEPTIDIC HIV PROTEASE INHIBITORS; PYRANS

Chemical Name: Benzenesulfonamide, 4-cyano-N-[3-[cyclopropyl[4-hydroxy-2-oxo-6-[1-(phenylmethyl)propyl]-2H-pyran-3-yl]methyl]phenyl]-, [S-(R,R)]-			Synonyms		AIDS# 000918
					Links to ChemID Plus by CAS# 162170-29-8 [S-[R,R]]
					Links to PubChem by AIDS# 000918
DIASTEREOISOMER OF 007327; STRUCTURE DRAWN IS (S-[R,R])
C32 H30 N2 O5 S		MW: 554.66			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 7	PHIA (Flexible Bonds): 8.1	Calc. LogP (MDL QSAR): 6.2
Company: PHARMACIA & UPJOHN			Calc. LogP (KowWin): 6.18
Anti-HIV Cellular data: 0	Lines of Data: 1	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 1	Number of References: 0	Lipinski: 2 (Score, out of 4)
Classes: NON-PEPTIDIC HIV PROTEASE INHIBITORS; PYRANS; BENZENESULFONAMIDES

Chemical Name: N-(3-[Cyclopropyl[4-hydroxy-2-oxo-6-[1(R)-phenylmethyl)propyl]-2H-pyran-3-yl)methyl]phenyl)-1H-imidazole-2-sulfonamide			Synonyms 3(Imid-SO2NHBz)-4OH-2Pyranone deriv.		AIDS# 001220
					Links to ChemID Plus by CAS# 174483-83-1
					Links to PubChem by AIDS# 001220

C28 H29 N3 O5 S		MW: 519.62			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 7	PHIA (Flexible Bonds): 7.32	Calc. LogP (MDL QSAR): 5.47
Company: PHARMACIA & UPJOHN			Calc. LogP (KowWin): 4.7
Anti-HIV Cellular data: 0	Lines of Data: 1	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 1	Number of References: 0	Lipinski: 2 (Score, out of 4)
Classes: NON-PEPTIDIC HIV PROTEASE INHIBITORS; PYRANS

Chemical Name: 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-			Synonyms (-)-Epicatechin .alpha. Catechin NSC81161		AIDS# 001347
					Links to ChemID Plus by CAS# 490-46-0
					Links to PubChem by AIDS# 001347
ISOLATED FROM PTEROCARPUS MARSUPIUM; ISOLATED FROM DETARIUM MICROCARPUM; (-)-(2R,3R) CIS ISOMER
C15 H14 O6		MW: 290.27			Links to PubMed by CAS#
H-bond donors: 5	H-bond acceptors: 6	PHIA (Flexible Bonds): 3.5	Calc. LogP (MDL QSAR): 0.66
Company: REGA INSTITUTE			Calc. LogP (KowWin): 1.18
Lines of Data: 11	Lines of Data: 16	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 7	Number of References: 9	Number of References: 2	Lipinski: 4 (Score, out of 4)
Classes: FLAVONOIDS; NATURAL PRODUCTS, PLANT; NON-PEPTIDIC HIV PROTEASE INHIBITORS

Chemical Name: 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one			Synonyms Kaempferol 3, 5, 7-triOH-Flavone NSC656277		AIDS# 001404
					Links to ChemID Plus by CAS# 520-18-3
					Links to PubChem by AIDS# 001404
ISOLATED FROM DELPHINIUM CONSOLIDA L. (RANUNCULACEAE); ROSA DEMASCENA
C15 H10 O6		MW: 286.24			Links to PubMed by CAS#
H-bond donors: 4	H-bond acceptors: 6	PHIA (Flexible Bonds): 3.17	Calc. LogP (MDL QSAR): 3.29
Company:			Calc. LogP (KowWin): 1.96
Lines of Data: 6	Lines of Data: 14	Lines of Data: 11	TB Min MIC	TB Min IC50	Links to NIST by AIDS# 001404
Number of References: 5	Number of References: 9	Number of References: 4	Lipinski: 4 (Score, out of 4)
Classes: NON-PEPTIDIC HIV PROTEASE INHIBITORS; CHROMONES; FLAVONOIDS

Chemical Name: 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-			Synonyms Morin 2', 3, 4', 5, 7-Pentahydroxyflavone Bois d'arc Al-Morin Aurantica C.I. Natural Yellow 11 C.I. Natural Yellow 8 C.I. 75660 NSC19801		AIDS# 001407
					Links to ChemID Plus by CAS# 480-16-0
					Links to PubChem by AIDS# 001407
ISOLATED FROM CHLOROPHORA TINCTORIA (MORACEAE), MORUS ALBA
C15 H10 O7		MW: 302.24			Links to PubMed by CAS#
H-bond donors: 5	H-bond acceptors: 7	PHIA (Flexible Bonds): 3.38	Calc. LogP (MDL QSAR): 2.9
Company:			Calc. LogP (KowWin): 1.48
Lines of Data: 6	Lines of Data: 10	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 5	Number of References: 7	Number of References: 2	Lipinski: 4 (Score, out of 4)
Classes: NON-PEPTIDIC HIV PROTEASE INHIBITORS; CHROMONES; FLAVONOIDS

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