Structure

InChI Key RRGJSMBMTOKHTE-UHFFFAOYSA-N
Smile COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O.NC(CO)(CO)CO
InChI
InChI=1S/C25H26N7O8P.C4H11NO3/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;5-4(1-6,2-7)3-8/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38);6-8H,1-3,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H37N8O11P
Molecular Weight 704.63
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 FDA

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3301598
FDA SRS 2X513P36U0
PubChem 46892186
SureChEMBL SCHEMBL14659293