Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D03DKZ
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| Former ID |
DNC009704
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| Drug Name |
VU0238429
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| Synonyms |
VU 0238429; 1160247-92-6; VU0238429; 1-(4-METHOXYBENZYL)-5-TRIFLUOROMETHOXYISATIN; CHEMBL466253; VU-0238429; 1-[(4-Methoxyphenyl)methyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione; GTPL3257; CTK8E8884; DTXSID40655290; MolPort-023-276-878; cid_42633508; ML129; MFCD16618396; BDBM50258656; ZINC40875741; AKOS024457724; API0008325; HY-12157; KB-81463; RT-017613; B7448; CS-0003122; VU0238429-1; VU0238429, solubility: >=20 mg/mL in DMSO; J-003368; 1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C17H12F3NO4
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| Canonical SMILES |
COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC(F)(F)F)C(=O)C2=O
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| InChI |
1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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| InChIKey |
CKLGZXFOLMHCMC-UHFFFAOYSA-N
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| CAS Number |
CAS 1160247-92-6
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Muscarinic acetylcholine receptor M5 (CHRM5) | Target Info | Inhibitor | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Cholinergic synapse | ||||
| Regulation of actin cytoskeleton | ||||
| Panther Pathway | Alzheimer disease-amyloid secretase pathway | |||
| Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | ||||
| Reactome | Muscarinic acetylcholine receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Monoamine GPCRs | |||
| Calcium Regulation in the Cardiac Cell | ||||
| Regulation of Actin Cytoskeleton | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| 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: 3257). | |||
| REF 2 | Discovery of the first highly M5-preferring muscarinic acetylcholine receptor ligand, an M5 positive allosteric modulator derived from a series of ... J Med Chem. 2009 Jun 11;52(11):3445-8. | |||
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