Details of the Drug

General Information of Drug (ID: DM9TZH4)

Drug Name

7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol

Synonyms

7-Chloro-4-hydroxy-2-phenyl-1,8-naphthyridine; CHEMBL97760; 286411-09-4; NCGC00015250-01; Lopac-C-5982; 7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol; AC1O0Y6J; Lopac0_000305; SCHEMBL378998; CTK8F7271; CTK8E5517; HMS3260N12; ZINC8582290; Tox21_500305; BDBM50090697; AKOS028113015; TRA0054236; LP00305; CCG-204400; NCGC00093754-02; NCGC00015250-03; NCGC00260990-01; NCGC00093754-01; NCGC00015250-05; NCGC00015250-02; NCGC00015250-04; 7-chloro-2-phenyl-1,8-naphthyridin-4-ol; TX-017366; KB-270267; 2-Phenyl-7-chloro-1,8-naphthyridine-4-ol

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)

256.68

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H9ClN2O
IUPAC Name: 7-chloro-2-phenyl-1H-1,8-naphthyridin-4-one
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)Cl
InChI: InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKey: JSCUNIPKMPNPFX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6105572
TTD ID: D05MCK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Study on affinity profile toward native human and bovine adenosine receptors of a series of 1,8-naphthyridine derivatives. J Med Chem. 2004 Jun 3;47(12):3019-31.