Details of the Drug

General Information of Drug (ID: DMHIAVW)

• Drug Name: Isoquinoline sulfonyl derivative 3
• Synonyms: PMID28048944-Compound-15
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 331.4
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C17H21N3O2S
  IUPAC Name: 5-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-ylsulfonyl)-4-methylisoquinoline
  Canonical SMILES: CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)N3CCC4C3CCCN4
  InChI: InChI=1S/C17H21N3O2S/c1-12-10-18-11-13-4-2-6-16(17(12)13)23(21,22)20-9-7-14-15(20)5-3-8-19-14/h2,4,6,10-11,14-15,19H,3,5,7-9H2,1H3
  InChIKey: WDKSGCASJPRCLY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118488070
  TTD ID: D0P6GJ

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.