Details of the Drug

General Information of Drug (ID: DM9SGBO)

• Drug Name: 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide
• Synonyms: 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE; 2-(4-CHLOROPHENYL)-5-QUINOXALINECARBOXAMIDE; 4tju; 1wok; AC1LCVX7; quinoxaline analogue, 3b; SCHEMBL424209; 3-(4-chloro-phenyl)-quinoxaline-5-carboxylic acid amide; CTK8F4675; BDBM27720; ZINC1489510; DB03509; 489457-67-2

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 283.71
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H10ClN3O
  IUPAC Name: 3-(4-chlorophenyl)quinoxaline-5-carboxamide
  Canonical SMILES: C1=CC(=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)N
  InChI: InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)
  InChIKey: FLYGLPYJEQPCFY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 657038
  DrugBank ID: DB03509
  TTD ID: D08ZVM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Poly [ADP-ribose] polymerase 1 (PARP1)	TTVDSZ0	PARP1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Poly [ADP-ribose] polymerase 1 (PARP1)	DTT	PARP1	5.01E-05	1.02	2.68

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.