GSK2838232

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Synonyms
Status
Molecule Category Free-form
UNII G9C7884M8M

Structure

InChI Key MEOWKUXNVNJAMY-PZFKGGKESA-N
Smiles CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2([C@@H](O)CN(CCN(C)C)Cc2ccc(Cl)cc2)CC1=O
InChI
InChI=1S/C48H73ClN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(25-24-50(10)11)28-31-12-14-32(49)15-13-31)23-22-46(8)33(41(40)48)16-17-36-45(7)20-19-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)18-21-47(36,46)9/h12-15,30,33,35-38,53H,16-29H2,1-11H3,(H,55,56)/t33-,35+,36-,37+,38+,45+,46-,47-,48+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C48H73ClN2O6
Molecular Weight 809.57
AlogP 9.46
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 107.38
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 57.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Human immunodeficiency virus 1
- 0.71-0.81 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4303141
FDA SRS G9C7884M8M
SureChEMBL SCHEMBL15038848
ZINC ZINC000098043798
CONTENTS