Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0C9FF
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| Former ID |
DCL000776
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| Drug Name |
DNK-333
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| Synonyms |
DNK 333; DNK333; N-((R,R)-(E)-1-(3,4-Dichlorobenzyl)-3-(2-oxoazepan-3-yl)carbamoyl)allyl-N-methyl-3,5-bis(trifluoromethyl)benzamide
|
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| Drug Type |
Small molecular drug
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| Indication | Irritable bowel syndrome with diarrhoea [ICD9: 493, 564.1, 787.91; ICD10:A09, J45, K58, K59.1] | Discontinued in Phase 2 | [1] | ||
| Company |
Novartis
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| Structure |
|
Download2D MOL |
|||
| Formula |
C27H25Cl2F6N3O3
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| Canonical SMILES |
CN(C(CC1=CC(=C(C=C1)Cl)Cl)C=CC(=O)NC2CCCCNC2=O)C(=O)C3=<br />CC(=CC(=C3)C(F)(F)F)C(F)(F)F
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| InChI |
1S/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22?/m0/s1
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| InChIKey |
BHCJHYIMNHXLOM-PBWXKQKBSA-N
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| CAS Number |
CAS 203932-02-9
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Substance-P receptor | Target Info | Modulator | ||
| NK-2 receptor | Target Info | Modulator | |||
| KEGG Pathway | Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | |||||
| Measleshsa04020:Calcium signaling pathway | |||||
| PANTHER Pathway | CCKR signaling map ST | ||||
| Reactome | G alpha (q) signalling eventsR-HSA-416476:G alpha (q) signalling events | ||||
| WikiPathways | SIDS Susceptibility Pathways | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| Spinal Cord Injury | |||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP2664:Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | Emerging drugs for the treatment of chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2006 May;11(2):275-91. | ||||
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