Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0P8PH
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| Former ID |
DIB021234
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| Drug Name |
XE991
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| Synonyms |
LS-190926
Click to Show/Hide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C26H20N2O
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC=NC=C4)CC5=CC=NC=C5
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| InChI |
1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2
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| InChIKey |
KHJFBUUFMUBONL-UHFFFAOYSA-N
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| CAS Number |
CAS 122955-42-4
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:35046
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Voltage-gated potassium channel Kv7.1 (KCNQ1) | Target Info | Blocker (channel blocker) | [2] |
| Voltage-gated potassium channel Kv7.2 (KCNQ2) | Target Info | Blocker (channel blocker) | [3] | |
| Voltage-gated potassium channel Kv7.4 (KCNQ4) | Target Info | Blocker (channel blocker) | [4] | |
| Voltage-gated potassium channel Kv7.5 (KCNQ5) | Target Info | Blocker (channel blocker) | [5] | |
| KEGG Pathway | Cholinergic synapse | |||
| Adrenergic signaling in cardiomyocytes | ||||
| Gastric acid secretion | ||||
| Pancreatic secretion | ||||
| Protein digestion and absorption | ||||
| Vibrio cholerae infection | ||||
| Panther Pathway | Muscarinic acetylcholine receptor 1 and 3 signaling pathway | |||
| Pathwhiz Pathway | Muscle/Heart Contraction | |||
| Reactome | Voltage gated Potassium channels | |||
| Interaction between L1 and Ankyrins | ||||
| WikiPathways | Potassium Channels | |||
| SIDS Susceptibility Pathways | ||||
| miR-targeted genes in muscle cell - TarBase | ||||
| miR-targeted genes in lymphocytes - TarBase | ||||
| TarBasePathway | ||||
| L1CAM interactions | ||||
| 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: 2596). | |||
| REF 2 | Molecular basis for differential sensitivity of KCNQ and I(Ks) channels to the cognitive enhancer XE991. Mol Pharmacol. 2000 Jun;57(6):1218-23. | |||
| REF 3 | KCNQ2 and KCNQ3 potassium channel subunits: molecular correlates of the M-channel. Science. 1998 Dec 4;282(5395):1890-3. | |||
| REF 4 | KCNQ4 channels expressed in mammalian cells: functional characteristics and pharmacology. Am J Physiol Cell Physiol. 2001 Apr;280(4):C859-66. | |||
| REF 5 | KCNQ5, a novel potassium channel broadly expressed in brain, mediates M-type currents. J Biol Chem. 2000 Aug 4;275(31):24089-95. | |||
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