Structure

InChI Key SWMDAPWAQQTBOG-UHFFFAOYSA-N
Smile COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O
InChI
InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H26N7O8P
Molecular Weight 583.5
AlogP 1.17
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 182.21
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Envelope polyprotein GP160 inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 4 D015658 ClinicalTrials
HIV Infections 4 D015658 FDA

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3301594
DrugBank DB11796
EPA CompTox DTXSID40235596
FDA SRS 97IQ273H4L
Guide to Pharmacology 11100
PubChem 11319217
SureChEMBL SCHEMBL754395
ZINC ZINC000014210883