LENACAPAVIR

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Synonyms
Status
Molecule Category Free-form
UNII A9A0O6FB4H

Structure

InChI Key BRYXUCLEHAUSDY-WEWMWRJBSA-N
Smiles 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

Mechanism of Action Action Reference
Structural capsid protein inhibitor INHIBITOR PubMed

Cross References

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