Details of the Drug

General Information of Drug (ID: DMEU12W)

• Drug Name: NCGC00381656-01
• Synonyms: CHEMBL4100530; SCHEMBL16157407; BDBM320423; US10174026, Example 88; NCGC00381656-01; 2-[(2-chlorophenyl)-propoxy- methyl]-1H-pyrrolo[3,2-b]- pyridine-7-carboxylic acid
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 344.8
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H17ClN2O3
  IUPAC Name: 2-[(2-chlorophenyl)-propoxymethyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
  Canonical SMILES: CCCOC(C1=CC=CC=C1Cl)C2=CC3=NC=CC(=C3N2)C(=O)O
  InChI: InChI=1S/C18H17ClN2O3/c1-2-9-24-17(11-5-3-4-6-13(11)19)15-10-14-16(21-15)12(18(22)23)7-8-20-14/h3-8,10,17,21H,2,9H2,1H3,(H,22,23)
  InChIKey: NXCXDWJNFKFGCO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 117637389
  TTD ID: D0PQ5P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 5A (KDM5A)	TTIG67W	KDM5A_HUMAN	Inhibitor	[1]

References

• [1] Histone demethylase inhibitors. US9738637.