BEVIRIMAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Parent
UNII: S125DW66N8

Structure
InChI Key YJEJKUQEXFSVCJ-WRFMNRASSA-N
Smile C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
InChI
InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H56O6
Molecular Weight 584.84
AlogP 8.14
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 100.9
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 42.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
10-1120 552 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 2 D015658 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 174022-42-5
ChEBI 65484
ChEMBL CHEMBL404519
DrugBank DB06581
EPA CompTox DTXSID20169749
FDA SRS S125DW66N8
PubChem 457928
SureChEMBL SCHEMBL2612026
ZINC ZINC000003936686
CONTENTS