Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0N5RQ
|
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| Former ID |
DNC003620
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| Drug Name |
KYS-05041
|
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C35H37N5O3S
|
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| Canonical SMILES |
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CNC(=O)CC3C4=CC=CC=C4N=C(N3C5=CC=CC=C5)N6CCCCC6
|
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| InChI |
1S/C35H37N5O3S/c1-26-14-20-30(21-15-26)44(42,43)38-28-18-16-27(17-19-28)25-36-34(41)24-33-31-12-6-7-13-32(31)37-35(39-22-8-3-9-23-39)40(33)29-10-4-2-5-11-29/h2,4-7,10-21,33,38H,3,8-9,22-25H2,1H3,(H,36,41)
|
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| InChIKey |
TWRWYNXGPAASHN-UHFFFAOYSA-N
|
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Voltage-gated calcium channel alpha Cav3.1 (CACNA1G) | Target Info | Inhibitor | [1] |
| Voltage-gated calcium channel alpha Cav3.2 (CACNA1H) | Target Info | Inhibitor | [2] | |
| KEGG Pathway | MAPK signaling pathway | |||
| Calcium signaling pathway | ||||
| Circadian entrainment | ||||
| Type II diabetes mellitus | ||||
| Panther Pathway | Endogenous cannabinoid signaling | |||
| GABA-B receptor II signaling | ||||
| Nicotine pharmacodynamics pathway | ||||
| Pathwhiz Pathway | Muscle/Heart Contraction | |||
| Pathway Interaction Database | Regulation of nuclear beta catenin signaling and target gene transcription | |||
| Reactome | NCAM1 interactions | |||
| WikiPathways | NCAM signaling for neurite out-growth | |||
| Nicotine Activity on Chromaffin Cells | ||||
| Corticotropin-releasing hormone | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 3D pharmacophore based virtual screening of T-type calcium channel blockers. Bioorg Med Chem. 2007 Jan 15;15(2):1091-105. | |||
| REF 2 | 3,4-Dihydroquinazoline derivatives as novel selective T-type Ca2+ channel blockers. Bioorg Med Chem Lett. 2004 Jul 5;14(13):3379-84. | |||
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