Details of the Drug

General Information of Drug (ID: DMC5F3H)

• Drug Name: Isoquinoline sulfonyl derivative 1
• Synonyms: PMID28048944-Compound-13
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 331.4
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C17H21N3O2S
  IUPAC Name: 5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)-4-methylisoquinoline
  Canonical SMILES: CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)N3CC4CCCNC4C3
  InChI: InChI=1S/C17H21N3O2S/c1-12-8-18-9-13-4-2-6-16(17(12)13)23(21,22)20-10-14-5-3-7-19-15(14)11-20/h2,4,6,8-9,14-15,19H,3,5,7,10-11H2,1H3
  InChIKey: GPOFEWOVDWONOA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 126511157
  TTD ID: D0VX0H

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Rho-associated protein kinase (ROCK)	TTMQO60	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Rho kinase inhibitors: a patent review (2014 - 2016).Expert Opin Ther Pat. 2017 Apr;27(4):507-515.