General Information of the Compound
Compound ID
CP0295860
Compound Name
7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol
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Synonyms
2-Phenyl-7-chloro-1,8-naphthyridine-4-ol
286411-09-4
7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol
7-Chloro-4-hydroxy-2-phenyl-1,8-naphthyridine
7-chloro-2-phenyl-1,8-naphthyridin-4-ol
AC1O0Y6J
AKOS028113015
BDBM50090697
CCG-204400
CHEMBL97760
CTK8E5517
CTK8F7271
HMS3260N12
KB-270267
LP00305
Lopac-C-5982
Lopac0_000305
NCGC00015250-01
NCGC00015250-02
NCGC00015250-03
NCGC00015250-04
NCGC00015250-05
NCGC00093754-01
NCGC00093754-02
NCGC00260990-01
SCHEMBL378998
TRA0054236
TX-017366
Tox21_500305
ZINC8582290
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Structure
Formula
C14H9ClN2O
Molecular Weight
256.692
Canonical SMILES
Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1
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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)
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InChIKey
JSCUNIPKMPNPFX-UHFFFAOYSA-N
Physicochemical Property
logP
3.6558
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
46.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 6105572
SID: 15268754
ChEMBL ID
CHEMBL97760
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.1585 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  2
1
Potency ~ 1689.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Potency ~ 1835.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 1039.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol )
Drug Name 7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol
Target(s)
Adenosine A1 receptor (ADORA1)
 Target Info 
Inhibitor