Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M1YN
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| Former ID |
DPR000016
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| Drug Name |
ATI-17000
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| Synonyms |
CompB; J-113397; UNII-00M5444DIY; CHEMBL357076; 00M5444DIY; J113397; 1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one; 1-[(3R,4R)-1-cyclooctylmethyl-3-hydroxymethyl-4-piperidyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one; AC1NSK6N; J-113,397; 1-(1-cyclooctylmethyl-3-hydroxymethyl-4-piperidyl)-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one; 256640-45-6; SCHEMBL875219; J 113397; GTPL1691; (+)-J-113397; ZINC1483900; BDBM50083230; NCGC00344513-02; 2H-Benzimidazol-2-one,
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| Drug Type |
Small molecular drug
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| Indication | Irritable bowel syndrome [ICD-11: DD91.0; ICD-10: K55-K64, K58; ICD-9: 564.1, 787.91] | Preclinical | [1] | |
| Company |
ARY x Therapeutics
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| Structure |
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Download2D MOL |
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| Formula |
C24H37N3O2
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| Canonical SMILES |
CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3CO)CC4CCCCCCC4
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| InChI |
1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1
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| InChIKey |
MBGVUMXBUGIIBQ-LEWJYISDSA-N
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| CAS Number |
CAS 256640-45-6
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | 5-HT 3A receptor (HTR3A) | Target Info | Antagonist | [1] |
| Nociceptin receptor (OPRL1) | Target Info | Antagonist | [2], [3], [4] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Serotonergic synapse | ||||
| NetPath Pathway | IL2 Signaling Pathway | |||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||
| Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | ||||
| 5HT3 type receptor mediated signaling pathway | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| Ligand-gated ion channel transport | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| SIDS Susceptibility Pathways | ||||
| Iron uptake and transport | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313. | |||
| REF 2 | Nocistatin and nociceptin given centrally induce opioid-mediated gastric mucosal protection. Peptides. 2008 Dec;29(12):2257-65. | |||
| REF 3 | The nociceptin receptor as a potential target in drug design. Drug News Perspect. 2001 Aug;14(6):335-45. | |||
| REF 4 | Nociceptin receptor antagonists display antidepressant-like properties in the mouse forced swimming test. Naunyn Schmiedebergs Arch Pharmacol. 2002 Feb;365(2):164-7. | |||
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