Details of the Drug

General Information of Drug (ID: DMG5MNZ)

• Drug Name: 1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
• Synonyms: AC1LERN1; 1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide; TimTec1_001906; Oprea1_174326; N-Benzoylpyrazole deriv., 6; CHEMBL388239; BDBM23704; MolPort-001-664-680; ZINC115253; HMS1539G14; STK398485; AKOS003748858; MCULE-1390939767; 1-benzoyl-N-phenylpyrazole-3-carboxamide; ST025783; N-phenyl[1-(phenylcarbonyl)pyrazol-3-yl]carboxamide

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); 291.3
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H13N3O2
  IUPAC Name: 1-benzoyl-N-phenylpyrazole-3-carboxamide
  Canonical SMILES: C1=CC=C(C=C1)C(=O)N2C=CC(=N2)C(=O)NC3=CC=CC=C3
  InChI: InChI=1S/C17H13N3O2/c21-16(18-14-9-5-2-6-10-14)15-11-12-20(19-15)17(22)13-7-3-1-4-8-13/h1-12H,(H,18,21)
  InChIKey: ZYYMCOZRPAHLRN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 716930
  TTD ID: D0IU5E

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]
Neutrophil elastase (NE)	TTPLTSQ	ELNE_HUMAN	Inhibitor	[1]
Plasma kallikrein (KLKB1)	TTMF8H9	KLKB1_HUMAN	Inhibitor	[1]
Urokinase-type plasminogen activator (PLAU)	TTGY7WI	UROK_HUMAN	Inhibitor	[1]

References

• [1] N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase. J Med Chem. 2007 Oct 4;50(20):4928-38.