Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09WPX
|
|||
| Former ID |
DIB021188
|
|||
| Drug Name |
VU0366058
|
|||
| Synonyms |
CHEMBL3759200; 1369344-82-0; 2-(benzooxazol-2-ylamino)-4-(4-fluorophenyl)pyrimidine-5-carbonitrile; VU0366058; GTPL6438; BDBM50143543; ZINC200480443; KB-267312
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C18H10FN5O
|
|||
| Canonical SMILES |
C1=CC=C2C(=C1)N=C(O2)NC3=NC=C(C(=N3)C4=CC=C(C=C4)F)C#N
|
|||
| InChI |
1S/C18H10FN5O/c19-13-7-5-11(6-8-13)16-12(9-20)10-21-17(23-16)24-18-22-14-3-1-2-4-15(14)25-18/h1-8,10H,(H,21,22,23,24)
|
|||
| InChIKey |
OBFRNKSPNQSVFR-UHFFFAOYSA-N
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Metabotropic glutamate receptor 5 (mGluR5) | Target Info | Modulator (allosteric modulator) | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Gap junction | ||||
| Long-term potentiation | ||||
| Retrograde endocannabinoid signaling | ||||
| Glutamatergic synapse | ||||
| Huntington's disease | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | |||
| Metabotropic glutamate receptor group III pathway | ||||
| Metabotropic glutamate receptor group I pathway | ||||
| Endogenous cannabinoid signaling | ||||
| Reactome | G alpha (q) signalling events | |||
| Class C/3 (Metabotropic glutamate/pheromone receptors) | ||||
| WikiPathways | Hypothetical Network for Drug Addiction | |||
| GPCRs, Class C Metabotropic glutamate, pheromone | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 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: 6438). | |||
| REF 2 | Discovery of 2-(2-benzoxazoyl amino)-4-aryl-5-cyanopyrimidine as negative allosteric modulators (NAMs) of metabotropic glutamate receptor (mGlu : from an artificial neural network virtual screen to an in vivo tool compound. ChemMedChem. 2012 Mar 5;7(3):406-14. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.