Details of the Drug

General Information of Drug (ID: DMRF0PS)

Drug Name

5-(3,4-dichlorophenyl)-1H-pyrazol-3-ol

Synonyms

MLS000066902; SMR000078902; CHEMBL566068; 3-(3,4-Dichlorophenyl)-1H-pyrazol-5-ol; 5-(3,4-dichlorophenyl)-1,2-dihydropyrazol-3-one; AC1LCBRY; cid_598633; BDBM59701; MolPort-002-279-649; ANMVQJHGOQOZLG-UHFFFAOYSA-N; HMS2187N05; KUC104342N; KSC-10-40; 5-(3,4-dichlorophenyl)-3-pyrazolin-3-one; 3-(3,4-Dichlorophenyl)-1H-pyrazol-5-ol #; 2H-Pyrazol-3-ol, 5-(3,4-dichlorophenyl)-; SR-01000617714

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

229.06

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C9H6Cl2N2O
IUPAC Name: 5-(3,4-dichlorophenyl)-1,2-dihydropyrazol-3-one
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)NN2)Cl)Cl
InChI: InChI=1S/C9H6Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
InChIKey: ANMVQJHGOQOZLG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 598633
TTD ID: D08DEG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Trypanosoma Cruzipain (Trypano CYSP)	TTEAID7	CYSP_TRYCR	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. J Med Chem. 2010 Jan 14;53(1):37-51.