THYMOPENTIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Protein
Molecule Category: UNKNOWN
ATC: L03AX09
UNII: O3Y80ZF13F

Structure
InChI Key PSWFFKRAVBDQEG-YGQNSOCVSA-N
Smile CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
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)/t19-,20-,21-,22-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H49N9O9
Molecular Weight 679.78
AlogP -2.4
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 11.0
Number of Rotational Bond 22.0
Polar Surface Area 327.67
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 48.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials
HIV Infections 3 D015658 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 69558-55-0
ChEBI 135870
ChEMBL CHEMBL156025
DrugCentral 2645
EPA CompTox DTXSID9046609
FDA SRS O3Y80ZF13F
PubChem 451417
SureChEMBL SCHEMBL44001
ZINC ZINC000003938642
CONTENTS