Thymopentin - Compound Summary (CID 50587)
Synthetic pentapeptide corresponding to the amino acids 32-36 of thymopoietin and exhibiting the full biological activity of the natural hormone. It is an immunomodulator which has been studied for possible use in the treatment of rheumatoid arthritis, AIDS, and other primary immunodeficiencies.
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 Drug and Chemical Information: (Total:1)
Adjuvants, Immunologic
- Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The ... Adjuvants, Immunologic
- Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.  |
Pharmacological Classification Chemical ClassificationSafety and Toxicology
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 Properties Computed from Structure:
| Molecular Weight | 679.76496 [g/mol] | | Molecular Formula | C30H49N9O9 | | XLogP3-AA | -6.4 | | H-Bond Donor | 11 | | H-Bond Acceptor | 14 | | Rotatable Bond Count | 22 | | Tautomer Count | 64 | | Exact Mass | 679.365324 | | MonoIsotopic Mass | 679.365324 | | Topological Polar Surface Area | 328 | | Heavy Atom Count | 48 | | Formal Charge | 0 | | Complexity | 1110 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 0 | | Undefined Atom StereoCenter Count | 5 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: 3-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino] hexanoyl]amino]-4-[[1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl] amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Canonical SMILES: CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(= O)C(CCCN=C(N)N)N
InChI: InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-
9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-
13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,
43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35)
InChIKey: PSWFFKRAVBDQEG-UHFFFAOYSA-N
Compound Information:
 Substance Information:
Substances:
All: 13 Links Same structure: 11 Links Mixture: 2 LinksCategory: [for same structure substances]
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  |  | Compound ID | 50587 |
| | Molecular Weight | 679.76496 [g/mol] |
| | Molecular Formula | C30H49N9O9 |
| | XLogP3-AA | -6.4 |
| | H-Bond Donor | 11 |
| | H-Bond Acceptor | 14 |
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Reason: 3D generation disallowed.