GDC-0152   Click here for help

GtoPdb Ligand ID: 7733

Synonyms: GDC 0152 | GDC0152
Compound class: Synthetic organic
Comment: GDC-0152 is reported to be a potent small-molecule antagonist of inhibitor of apoptosis (IAP) proteins [1]. The compound is a Smac mimetic, and antagonises binding of caspases to BIR domains of IAP proteins. This action restores apoptosis.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 144.56
Molecular weight 498.24
XLogP 3.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(C(=O)NC(C(=O)N1CCCC1C(=O)Nc1snnc1c1ccccc1)C1CCCCC1)C
Isomeric SMILES CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1c1ccccc1)C1CCCCC1)C
InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
InChI Key WZRFLSDVFPIXOV-LRQRDZAKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
Synonyms Click here for help
GDC 0152 | GDC0152
Database Links Click here for help
CAS Registry No. 873652-48-3
ChEMBL Ligand CHEMBL2063869
GtoPdb PubChem SID 223366066
PubChem CID 46940575
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