Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0R4TA
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| Former ID |
DIB021041
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| Drug Name |
tetronothiodin
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| Synonyms |
Tetronothiodin; CHEMBL3576924; 139643-79-1; GTPL910; BDBM50088529; 3a,4,5,8,9,10,15,15a,18,19,23,23a-Dodecahydro-9,24-dihydroxy-4,17,18-trimethyl-alpha,21,23-trioxo-3H,21H-19a,22-metheno-1H-thieno(3,4-e)(1)benzoxacycloeicosin-3-acetic acid; 2-[(8Z,10E,15E)-13,26-dihydroxy-3,4,18-trimethyl-24,28-dioxo-27-oxa-21-thiatetracyclo[23.2.1.0^{1,6}.0^{19,23}]octacosa-4,8,10,15,25-pentaen-20-yl]-2-oxoacetic acid; 3H,21H-19a,22-Metheno-1H-thieno(3,4-e)(1)benzoxacycloeicosin-3-acetic acid, 3a,4,5,8,9,10,15,15a,18,19,23,23a-do
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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 |
C31H38O8S
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| Canonical SMILES |
CC1CC=CCC(CC=CC=CCC2C=C(C(CC23C(=C(C(=O)C4C1C(SC4)C(=O)C(=O)O)C(=O)O3)O)C)C)O
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| InChI |
1S/C31H38O8S/c1-17-10-8-9-13-21(32)12-7-5-4-6-11-20-14-18(2)19(3)15-31(20)28(35)24(30(38)39-31)25(33)22-16-40-27(23(17)22)26(34)29(36)37/h4-9,14,17,19-23,27,32,35H,10-13,15-16H2,1-3H3,(H,36,37)/b6-4+,7-5+,9-8+
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| InChIKey |
WWHAZVYADWRKPA-SFYXYOTASA-N
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| CAS Number |
CAS 139643-79-1
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Gastrin/cholecystokinin type B receptor (CCKBR) | Target Info | Antagonist | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Gastric acid secretion | ||||
| Panther Pathway | CCKR signaling map ST | |||
| Pathwhiz Pathway | Gastric Acid Production | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Secretion of Hydrochloric Acid in Parietal Cells | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Tetronothiodin, a novel CCKB receptor ligand, antagonizes cholecystokinin-induced Ca2+ mobilization in a pituitary cell line. Eur J Pharmacol. 1992 Oct 6;221(1):99-105. | |||
| REF 2 | Species specificity of pharmacological characteristics of CCK-B receptors. Neurosci Lett. 1993 Aug 6;158(1):1-4. | |||
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