Details of the Drug

General Information of Drug (ID: DMO9S5P)

Drug Name

UCCF-029

Synonyms

2-Pyridin-4-yl-benzo[h]chromen-4-one; UCCF-029; 2110-25-0; CHEMBL177991; 2-(pyridin-4-yl)-4H-benzo[h]chromen-4-one; BAS 12813734; AC1MKUU0; MLS001209162; ZINC9006; SCHEMBL4069839; GTPL4335; CTK7H2722; DTXSID20390354; CHEBI:116557; HMS2841G23; BDBM50159612; 2-(4-pyridyl)benzo[h]chromen-4-one; 2-pyridin-4-ylbenzo[h]chromen-4-one; AKOS000507523; MCULE-4590967836; 2-(pyridin-4-yl)benzo[h]chromen-4-one; SMR000525005; TR-043515; ST50294170; EC-000.1914; 4-(4-Oxo-4H-benzo[h]chromen-2-yl)-pyridinium; J-013846

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)

273.3

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H11NO2
IUPAC Name: 2-pyridin-4-ylbenzo[h]chromen-4-one
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CC=NC=C4
InChI: InChI=1S/C18H11NO2/c20-16-11-17(13-7-9-19-10-8-13)21-18-14-4-2-1-3-12(14)5-6-15(16)18/h1-11H
InChIKey: LZCOBWKVDSSOBB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3163532
ChEBI ID: CHEBI:116557
CAS Number: 2110-25-0
TTD ID: D0T9DI

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: 4335).
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).