CGS-27023A   Click here for help

GtoPdb Ligand ID: 8846

Synonyms: CGS 27023A | CGS27023A | MMI270
PDB Ligand
Compound class: Synthetic organic
Comment: CGS-27023A is reported as a potent pan-inhibitor of matrix metalloproteinases [2].
Note that CGS-27023A imay be used experimentally as the hydrochloride salt (PubChem CID 9888897).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 117.21
Molecular weight 393.14
XLogP 1.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ONC(=O)C(N(S(=O)(=O)c1ccc(cc1)OC)Cc1cccnc1)C(C)C
Isomeric SMILES ONC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)OC)Cc1cccnc1)C(C)C
InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
InChI Key BSIZUMJRKYHEBR-QGZVFWFLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
Synonyms Click here for help
CGS 27023A | CGS27023A | MMI270
Database Links Click here for help
ChEMBL Ligand CHEMBL267178
GtoPdb PubChem SID 252827503
PubChem CID 446504
RCSB PDB Ligand CGS
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SynPHARM 82905 (in complex with MMP1)