Details of the Drug

General Information of Drug (ID: DMN9QO4)

Drug Name

UCCF-853

Synonyms

UCCF-853; 625458-06-2; 1-(3-chlorophenyl)-5-trifluoromethyl-3-hydrobenzimidazol-2-one; GTPL4338; SCHEMBL15070016; DTXSID40590778; ZINC22115075; 1-(3-Chloro-phenyl)-5-trifluoromethyl-1,3-dihydro-benzoimidazol-2-one; KB-08685; KB-08684; EC-000.1912; 1-(3-chlorophenyl)-5-trifluoromethyl-1,3-dihydrobenzoimidazol-2-one; 1-(3-Chlorophenyl)-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-one

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

312.67

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H8ClF3N2O
IUPAC Name: 3-(3-chlorophenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
Canonical SMILES: C1=CC(=CC(=C1)Cl)N2C3=C(C=C(C=C3)C(F)(F)F)NC2=O
InChI: InChI=1S/C14H8ClF3N2O/c15-9-2-1-3-10(7-9)20-12-5-4-8(14(16,17)18)6-11(12)19-13(20)21/h1-7H,(H,19,21)
InChIKey: NMPJFFWYEIIGFW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 17750928
CAS Number: 625458-06-2
TTD ID: D0S0NB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
cAMP-dependent chloride channel (CFTR)	TTRLZHP	CFTR_HUMAN	Activator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4338).
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 707).