ilomastat   Click here for help

GtoPdb Ligand ID: 7409

Synonyms: CS 610 | GM 6001
PDB Ligand
Compound class: Synthetic organic
Comment: Ilomastat is a broad-spectrum inhibitor of group M10 and M12 metallopeptidases.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 12
Topological polar surface area 123.32
Molecular weight 388.21
XLogP 1.62
No. Lipinski's rules broken 0
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Canonical SMILES ONC(=O)CC(C(=O)NC(C(=O)NC)Cc1c[nH]c2c1cccc2)CC(C)C
Isomeric SMILES ONC(=O)C[C@H](C(=O)N[C@H](C(=O)NC)Cc1c[nH]c2c1cccc2)CC(C)C
InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7383 ilomastat
Synonyms Click here for help
CS 610 | GM 6001
Database Links Click here for help
CAS Registry No. 142880-36-2
ChEMBL Ligand CHEMBL19611
DrugBank Ligand DB02255
GtoPdb PubChem SID 178103981
PubChem CID 132519
Search Google for chemical match using the InChIKey NITYDPDXAAFEIT-DYVFJYSZSA-N
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UniChem Compound Search for chemical match using the InChIKey NITYDPDXAAFEIT-DYVFJYSZSA-N
UniChem Connectivity Search for chemical match using the InChIKey NITYDPDXAAFEIT-DYVFJYSZSA-N
Wikipedia GM6001

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GM 6001 (links to external site)
Cat. No. 2983