Details of the Drug

General Information of Drug (ID: DMP5E1G)

Drug Name
N-phenyl-1H-pyrazole-3-carboxamide
Synonyms
N-phenyl-1H-pyrazole-3-carboxamide; 124828-46-2; CHEMBL445420; N-phenyl-1H-pyrazole-5-carboxamide; 1H-Pyrazole-3-carboxylic Acid Phenylamide; MLS000519301; 2vtl; pyrazole amide, 15; pyrazole-5-carboxanilide; ChemDiv2_004267; AC1LE63W; SCHEMBL19748; N-phenylpyrazol-3-ylcarboxamide; SCHEMBL13373589; BDBM24636; MolPort-001-664-649; HMS2155C18; HMS3604B14; HMS1381B21; HMS3323C02; ALBB-018739; ZINC5286379; STK926745; BDBM50109707; AKOS000321787; DB08135; 1H-pyrazole-3-carboxamide, N-phenyl-; MCULE-7079696193; IDI1_002982; ST034406
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 187.2
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C10H9N3O
IUPAC Name
N-phenyl-1H-pyrazole-5-carboxamide
Canonical SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=NN2
InChI
InChI=1S/C10H9N3O/c14-10(9-6-7-11-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,11,13)(H,12,14)
InChIKey
WMZYZYFPPQOFKY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
680935
CAS Number
124828-46-2
UNII
LB4UGM0L6N
DrugBank ID
DB08135
TTD ID
D07ODE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cyclin-dependent kinase 2 (CDK2) TT7HF4W CDK2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Cyclin-dependent kinase 2 (CDK2) DTT CDK2 2.28E-06 0.12 0.19
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.