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
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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
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
Search Google for chemical match using the InChIKey DRLCSJFKKILATL-YWCVFVGNSA-N
Search Google for chemicals with the same backbone DRLCSJFKKILATL
UniChem Compound Search for chemical match using the InChIKey DRLCSJFKKILATL-YWCVFVGNSA-N
UniChem Connectivity Search for chemical match using the InChIKey DRLCSJFKKILATL-YWCVFVGNSA-N