Details of the Drug

General Information of Drug (ID: DMVQK4Y)

Drug Name
2-methyl-6-(phenylethynyl)pyridine
Synonyms
2-Methyl-6-(phenylethynyl)pyridine; MPEP; 96206-92-7; 6-Methyl-2-(phenylethynyl)pyridine; 2-methyl-6-(2-phenylethynyl)pyridine; UNII-7VC0YVI27Y; 7VC0YVI27Y; CHEMBL66654; CHEBI:64159; Pyridine, 2-methyl-6-(phenylethynyl)-; Tocris-1212; AC1MHGB1; Lopac-M-5435; Lopac0_000738; MLS006011229; SCHEMBL103061; 2-Picoline, 6-phenylethynyl-; GTPL1426; DTXSID9043982; MolPort-003-958-770; HMS3651F13; 2-Methyl-6-phenylethynyl-pyridine; ZINC2581406; BCP05962; ZX-AN014840; 2-methyl-6-(phenylethynyl)-pyridine; s2809; HY-14609A; 2151AH
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 193.24
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C14H11N
IUPAC Name
2-methyl-6-(2-phenylethynyl)pyridine
Canonical SMILES
CC1=NC(=CC=C1)C#CC2=CC=CC=C2
InChI
InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
InChIKey
NEWKHUASLBMWRE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3025961
ChEBI ID
CHEMBL66654
CAS Number
96206-92-7
TTD ID
D0IO8J
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 1 (mGluR1) TTVBPDM GRM1_HUMAN Inhibitor [2]
Metabotropic glutamate receptor 4 (mGluR4) TTICZ1O GRM4_HUMAN Modulator (allosteric modulator) [3]
Metabotropic glutamate receptor 5 (mGluR5) TTHS256 GRM5_HUMAN Inhibitor [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Metabotropic glutamate receptor 5 (mGluR5) DTT GRM5 9.81E-07 -0.26 -0.54
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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: 1426).
2 Carbamoyloximes as novel non-competitive mGlu5 receptor antagonists. Bioorg Med Chem Lett. 2010 Aug 1;20(15):4371-5.
3 Positive allosteric modulation of the human metabotropic glutamate receptor 4 (hmGluR4) by SIB-1893 and MPEP. Br J Pharmacol. 2003 Mar;138(6):1026-30.
4 2-Methyl-6-(phenylethynyl)-pyridine (MPEP), a potent, selective and systemically active mGlu5 receptor antagonist. Neuropharmacology. 1999 Oct;38(10):1493-503.