Details of the Drug

General Information of Drug (ID: DMMJ81G)

• Drug Name: Tricyclic compound 6
• Synonyms: PMID28048944-Compound-25
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 333.4
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H19N3O2
  IUPAC Name: ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate
  Canonical SMILES: CCN1C2=C(C=C(C=C2)N=CC(C#N)C(=O)OCC)C3=CC=CC=C31
  InChI: InChI=1S/C20H19N3O2/c1-3-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)22-13-14(12-21)20(24)25-4-2/h5-11,13-14H,3-4H2,1-2H3
  InChIKey: ZCSFFBZXCQGHRG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 91895903
  TTD ID: D0E9PE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Rho-associated protein kinase 2 (ROCK2)	TTGWKQJ	ROCK2_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Rho-associated protein kinase 2 (ROCK2)	DTT	ROCK2	8.76E-01	6.89E-03	0.03
Rho-associated protein kinase 2 (ROCK2)	DTT	ROCK2	1.39E-02	-0.09	-0.39

References

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