Details of the Drug

General Information of Drug (ID: DMF0YJ3)

• Drug Name: (5-amino-1-phenyl-1H-pyrazol-4-yl)phenylmethanone
• Synonyms: 54606-37-0; (5-Amino-1-phenyl-1H-pyrazol-4-yl)phenyl methanone; (5-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)(PHENYL)METHANONE; 4-benzoyl-5-aminopyrazole 1; CHEMBL203333; (5-amino-1-phenyl-1H-pyrazol-4-yl)-phenyl-methanone; SCHEMBL13662120; BDBM15714; 5-amino-4-benzoyl-1-phenylpyrazole; ZINC12365464; 1-Phenyl-4-benzoyl-1H-pyrazol-5-amine; 4-benzoyl-1-phenyl-1H-pyrazol-5-amine; KB-208557; FT-0728731; (5-Amino-1-phenyl-1H-pyrazol-4-yl)(phenyl)methanone, AldrichCPR

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); 263.29
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H13N3O
  IUPAC Name: (5-amino-1-phenylpyrazol-4-yl)-phenylmethanone
  Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N
  InChI: InChI=1S/C16H13N3O/c17-16-14(15(20)12-7-3-1-4-8-12)11-18-19(16)13-9-5-2-6-10-13/h1-11H,17H2
  InChIKey: YMGWYPXWGVJIAJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 15311937
  TTD ID: D08WFC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Stress-activated protein kinase 2a (p38 alpha)	TTQBR95	MK14_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
Stress-activated protein kinase 2a (p38 alpha)	DTT	MAPK14	7.98E-04	1.33	2.48

References

• [1] Discovery of S-[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]methanone (RO3201195), an orally bioavailable and highl... J Med Chem. 2006 Mar 9;49(5):1562-75.