General Information of the Compound
Compound ID
CP0191235
Compound Name
2-Methyl-6-(phenylethynyl)pyridine
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Synonyms
2-Methyl-6-(phenylethynyl)pyridine
2-Methyl-6-phenylethynyl-pyridine
2-Picoline, 6-phenylethynyl-
2-methyl-6-(2-phenylethynyl)pyridine
2-methyl-6-(phenylethynyl)-pyridine
2-methyl-6-(phenylethynyl)pyridine
2151AH
6-Methyl-2-(phenylethynyl)pyridine
7VC0YVI27Y
96206-92-7
AC1MHGB1
BCP05962
CHEBI:64159
CHEMBL66654
DTXSID9043982
GTPL1426
HMS3651F13
HY-14609A
Lopac-M-5435
Lopac0_000738
MLS006011229
MPEP
MolPort-003-958-770
Pyridine, 2-methyl-6-(phenylethynyl)-
SCHEMBL103061
Tocris-1212
UNII-7VC0YVI27Y
ZINC2581406
ZX-AN014840
s2809
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Structure
Formula
C14H11N
Molecular Weight
193.249
Canonical SMILES
Cc1cccc(n1)C#Cc1ccccc1
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InChI
InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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InChIKey
NEWKHUASLBMWRE-UHFFFAOYSA-N
CAS
219911-35-0
Physicochemical Property
logP
2.78982
Rotatable Bonds
0
Heavy Atom Count
15
Polar Areas
12.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
15

"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: 3025961
SID: 56310595
ChEMBL ID
CHEMBL66654
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: PT02444, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000308 T-REx-CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 0.2 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 2.93 nM
   TI
   LI
   LO
   TS
2
Ki = 18.7 nM
   TI
   LI
   LO
   TS
CL000050 HEK293-A Homo sapiens (Human)  2
1
IC50 = 3.54 nM
   TI
   LI
   LO
   TS
2
IC50 = 31 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 3.54 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 36 nM
2 Ki = 4.7 nM
3 Ki = 13 nM
Protein ID: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1.5 nM
   TI
   LI
   LO
   TS
CL000041 LTK- Mus musculus (Mouse)  1
1
IC50 = 2 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  4
1
IC50 = 2.3 nM
   TI
   LI
   LO
   TS
2
IC50 = 32 nM
   TI
   LI
   LO
   TS
3
Kd = 8.6 nM
   TI
   LI
   LO
   TS
4
Ki = 3.4 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
IC50 = 10 nM
   TI
   LI
   LO
   TS
2
IC50 = 31 nM
   TI
   LI
   LO
   TS
3
IC50 = 39 nM
   TI
   LI
   LO
   TS
CL000308 T-REx-CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 11.2 nM
   TI
   LI
   LO
   TS
2
Ki = 10.4 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 13 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4 nM
2 Ki = 36.31 nM
Clinical Information about the Compound
Drug 1 ( 2-methyl-6-(phenylethynyl)pyridine )
Drug Name 2-methyl-6-(phenylethynyl)pyridine
Target(s)
Metabotropic glutamate receptor 4 (mGluR4)
Modulator (allosteric modulator)
Metabotropic glutamate receptor 1 (mGluR1)
Inhibitor
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor