GS-9191

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5I2GJW5Z2Q

Structure
InChI Key YTMOQFAFGKLYIW-CONSDPRKSA-N
Smile CC(C)COC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)N[C@@H](Cc1ccccc1)C(=O)OCC(C)C
InChI
InChI=1S/C37H51N8O6P/c1-25(2)21-50-35(46)30(19-27-11-7-5-8-12-27)43-52(48,44-31(36(47)51-22-26(3)4)20-28-13-9-6-10-14-28)24-49-18-17-45-23-39-32-33(40-29-15-16-29)41-37(38)42-34(32)45/h5-14,23,25-26,29-31H,15-22,24H2,1-4H3,(H2,43,44,48)(H3,38,40,41,42)/t30-,31-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H51N8O6P
Molecular Weight 734.84
AlogP 4.95
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 21.0
Polar Surface Area 184.61
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 52.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Condylomata Acuminata 1 D003218 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 859209-84-0
ChEMBL CHEMBL1652465
DrugBank DB15084
FDA SRS 5I2GJW5Z2Q
PubChem 44181731
SureChEMBL SCHEMBL2734836
ZINC ZINC000068150797
CONTENTS