Details of the Drug

General Information of Drug (ID: DMXTL7V)

• Drug Name: Tetra-hydro-carboline derivative 2
• Synonyms: PMID28447479-Compound-29
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 471.6
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C29H33N3O3
  IUPAC Name: 4-[2-[8-[(3-ethylphenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
  Canonical SMILES: CCC1=CC(=CC=C1)CN2C3=C(CCN(C3)C(=O)CC45CCC(C4)(CC5)C(=O)O)C6=C2N=CC=C6
  InChI: InChI=1S/C29H33N3O3/c1-2-20-5-3-6-21(15-20)17-32-24-18-31(14-8-22(24)23-7-4-13-30-26(23)32)25(33)16-28-9-11-29(19-28,12-10-28)27(34)35/h3-7,13,15H,2,8-12,14,16-19H2,1H3,(H,34,35)
  InChIKey: KFNXYFDWAKJOGZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 66548941
  TTD ID: D00PJE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Extracellular lysophospholipase D (E-NPP2)	TTSCIM2	ENPP2_HUMAN	Inhibitor	[1]

References

• [1] Autotaxin inhibitors: a patent review (2012-2016).Expert Opin Ther Pat. 2017 Jul;27(7):815-829.