Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0AL3I
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| Drug Name |
1,2-diamino cyclopentane-based derivative 16
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| Synonyms |
PMID26593218-Compound-38
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| Drug Type |
Small molecular drug
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| Company |
TAKEDA CAMBRIDGE LIMITED TAKEDA PHARMACEUTICAL COMPANY LIMITED
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| Structure |
 |
Download2D MOL |
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| Formula |
C22H20FN5O2S
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| Canonical SMILES |
CC1=NOC(=N1)C2=CC=CC=C2C(=O)NC3CCCC3NC4=NC5=C(S4)C=C(C=C5)F
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| InChI |
1S/C22H20FN5O2S/c1-12-24-21(30-28-12)15-6-3-2-5-14(15)20(29)25-16-7-4-8-17(16)26-22-27-18-10-9-13(23)11-19(18)31-22/h2-3,5-6,9-11,16-17H,4,7-8H2,1H3,(H,25,29)(H,26,27)/t16-,17-/m0/s1
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| InChIKey |
HAQWTGIMJAZGBJ-IRXDYDNUSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Orexin receptor type 1 (HCRTR1) | Target Info | Antagonist | [1] |
| Orexin receptor type 2 (HCRTR2) | Target Info | Antagonist | [1] | |
| Target's Patent Info | Orexin receptor type 1 (HCRTR1) | Target's Patent Info | [1] | |
| Orexin receptor type 2 (HCRTR2) | Target's Patent Info | [1] | ||
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Reactome | G alpha (q) signalling events | |||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Substituted cyclopentanes, tetrahydrofurans and pyrrolidines as orexin-1-receptor antagonists for treatment of various CNS disorders (WO2015/055994; WO2015/124932; WO2015/124934).Expert Opin Ther Pat. 2016;26(3):409-15. | |||
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