BEVIRIMAT

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII S125DW66N8
EPA CompTox DTXSID20169749

Structure

InChI Key YJEJKUQEXFSVCJ-WRFMNRASSA-N
Smiles 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
10-970 552 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.35 - - - -
Human immunodeficiency virus
10.3 - - - -
Human immunodeficiency virus 1
0.005-974 10-552 - - 90

Related Entries

Cross References

Resources Reference
ChEBI 65484
ChEMBL CHEMBL404519
DrugBank DB06581
FDA SRS S125DW66N8
PubChem 457928
SureChEMBL SCHEMBL2612026
ZINC ZINC000003936686
CONTENTS