Details of the Drug

General Information of Drug (ID: DMD4Z6H)

• Drug Name: (3-nitro-1H-pyrazol-1-yl)(phenyl)methanone
• Synonyms: (3-nitro-1H-pyrazol-1-yl)(phenyl)methanone; AC1LDSPA; 3-nitropyrazolyl phenyl ketone; N-Benzoylpyrazole deriv., 19; CHEMBL244940; 1-benzoyl-3-nitro-1H-pyrazole; BDBM23711; ZINC79624; MolPort-002-705-611; STK760577; AKOS001756309; (3-nitropyrazol-1-yl)-phenylmethanone; MCULE-2233615430; ST073764; SR-01000524822; SR-01000524822-1

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); 217.18
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H7N3O3
  IUPAC Name: (3-nitropyrazol-1-yl)-phenylmethanone
  Canonical SMILES: C1=CC=C(C=C1)C(=O)N2C=CC(=N2)[N+](=O)[O-]
  InChI: InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H
  InChIKey: MIWUBRDWBKJULS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 700133
  ChEBI ID: CHEMBL244940
  TTD ID: D08WQJ
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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]

References

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