LENACAPAVIR

Search structure
Synonyms:
Status: Approved (2022)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: A9A0O6FB4H

Structure
InChI Key BRYXUCLEHAUSDY-WEWMWRJBSA-N
Smile CC(C)(C#Cc1ccc(-c2ccc(Cl)c3c(NS(C)(=O)=O)nn(CC(F)(F)F)c23)c([C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)n1)S(C)(=O)=O
InChI
InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C39H32ClF10N7O5S2
Molecular Weight 968.3
AlogP 7.66
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 157.94
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 64.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Structural capsid protein inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 3 D015658 ClinicalTrials
HIV Infections 3 D015658 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594438
FDA SRS A9A0O6FB4H
PDB QNG
PubChem 133082658
SureChEMBL SCHEMBL19875642
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