Details of the Drug

General Information of Drug (ID: DMXA8K1)

Drug Name
CM-352
Synonyms compound 2 [PMID 25686022]
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 487.6
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C24H29N3O6S
IUPAC Name
(3R)-N-hydroxy-3-[4-[4-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
Canonical SMILES
CNC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)[C@@]3(CCC4(C3)CCNCC4)C(=O)NO
InChI
InChI=1S/C24H29N3O6S/c1-25-21(28)17-2-4-18(5-3-17)33-19-6-8-20(9-7-19)34(31,32)24(22(29)27-30)11-10-23(16-24)12-14-26-15-13-23/h2-9,26,30H,10-16H2,1H3,(H,25,28)(H,27,29)/t24-/m1/s1
InChIKey
ZUZGJCNWNOCKEB-XMMPIXPASA-N
Cross-matching ID
PubChem CID
91623362
ChEBI ID
CHEMBL3417770
TTD ID
D0OR6O
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Matrix metalloproteinase-10 (MMP-10) TTXLEG7 MMP10_HUMAN Inhibitor [2]
Matrix metalloproteinase-3 (MMP-3) TTUZ2L5 MMP3_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 proMetalloproteinase-10 is associated with brain damage and clinical outcome in acute ischemic stroke. J Thromb Haemost. 2013 Aug;11(8):1464-73.
2 Discovery and safety profiling of a potent preclinical candidate, (4-[4-[[(3R)-3-(hydroxycarbamoyl)-8-azaspiro[4.5]decan-3-yl]sulfonyl]phenoxy]-N-methylbenzamide) (CM-352), for the prevention and treatment of hemorrhage. J Med Chem. 2015 Apr 9;58(7):2941-57.