cipemastat   Click here for help

GtoPdb Ligand ID: 6466

Synonyms: Ro 28-2653
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Cipemastat is a selective matrix metalloproteinase-1 inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 110.26
Molecular weight 436.27
XLogP 1.44
No. Lipinski's rules broken 0
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Isomeric SMILES ONC(=O)[C@H]([C@H](C(=O)N1CCCCC1)CC1CCCC1)CN1C(=O)N(C(C1=O)(C)C)C
InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,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
7862 cipemastat
Synonyms Click here for help
Ro 28-2653
Database Links Click here for help
CAS Registry No. 9824350
ChEMBL Ligand CHEMBL115653
GtoPdb PubChem SID 178103080
PubChem CID 9824350
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UniChem Compound Search for chemical match using the InChIKey GFUITADOEPNRML-SJORKVTESA-N
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Wikipedia Cipemastat