General Information of the Compound
Compound ID
CP0182750
Compound Name
3-fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
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Synonyms
3-Fluoro-5-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
3-Fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
3-fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
327056-26-8
54SQ9B412I
AKOS027470228
AZD 9272
AZD-9272
AZD9272
AZD9272, &gt
BDBM50395923
CHEMBL2164550
CHEMBL2164551
CS-0033119
GTPL6439
HY-110254
J3.560.338G
MolPort-039-338-067
RBSPCALDSNXWEP-UHFFFAOYSA-N
SCHEMBL2027395
UNII-54SQ9B412I
ZINC33980255
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Structure
Formula
C14H6F2N4O
Molecular Weight
284.225
Canonical SMILES
Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
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InChI
InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
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InChIKey
RBSPCALDSNXWEP-UHFFFAOYSA-N
Physicochemical Property
logP
2.94848
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
75.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 9838729
SID: 14799796
ChEMBL ID
CHEMBL2164551
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: PT01247, Metabotropic glutamate receptor 5
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00854, Metabotropic glutamate receptor 5
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 7.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 26 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AZD-9272 )
Drug Name AZD-9272
Company AstraZeneca
Indication
Neuropathic pain
Discontinued in Phase 1
Target(s)
Metabotropic glutamate receptor 1 (mGluR1)
 Target Info 
Modulator