AMG-232   Click here for help

GtoPdb Ligand ID: 11133

Synonyms: AMG232 | compound 2 [PMID: 24456472] | KRT-232 | KRT232
Compound class: Synthetic organic
Comment: AMG-232 is a clinical stage orally available inhibitor of MDM2 [4], that was designed for anti-tumour potential. It disrupts the MDM2-p53 interaction.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 100.13
Molecular weight 567.16
XLogP 5.82
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C[C@@]1(C)C[C@H](c2cccc(c2)Cl)[C@H](N(C1=O)[C@@H](C(C)C)CS(=O)(=O)C(C)C)c1ccc(cc1)Cl
Isomeric SMILES OC(=O)C[C@@]1(C)C[C@H](c2cccc(c2)Cl)[C@H](N(C1=O)[C@@H](C(C)C)CS(=O)(=O)C(C)C)c1ccc(cc1)Cl
InChI InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1
InChI Key DRLCSJFKKILATL-YWCVFVGNSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(2S)-3-methyl-1-propan-2-ylsulfonylbutan-2-yl]-2-oxopiperidin-3-yl]acetic acid
Synonyms Click here for help
AMG232 | compound 2 [PMID: 24456472] | KRT-232 | KRT232
Database Links Click here for help
BindingDB Ligand 50448947
ChEMBL Ligand CHEMBL3125702
DrugBank Ligand DB15299
GtoPdb PubChem SID 434122193
PubChem CID 58573469
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