Details of the Drug

General Information of Drug (ID: DM3I9JG)

Drug Name

UCCF-339

Synonyms

652138-15-3; UCCF-339; GTPL4337; CTK1J8227; DTXSID60799206; 6-(furan-2-yl)-2-(pyridin-4-yl)-4H-benzo[h]chromen-4-one; 4H-Naphtho[1,2-b]pyran-4-one, 6-(2-furanyl)-2-(4-pyridinyl)-

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)

339.3

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H13NO3
IUPAC Name: 6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one
Canonical SMILES: C1=CC=C2C(=C1)C(=CC3=C2OC(=CC3=O)C4=CC=NC=C4)C5=CC=CO5
InChI: InChI=1S/C22H13NO3/c24-19-13-21(14-7-9-23-10-8-14)26-22-16-5-2-1-4-15(16)17(12-18(19)22)20-6-3-11-25-20/h1-13H
InChIKey: YYRINQRAIIGEQV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 71376521
CAS Number: 652138-15-3
TTD ID: D0C6YC

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: 4337).
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).