Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0U7HD
|
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| Former ID |
DIB005933
|
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| Drug Name |
SQ-33961
|
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| Drug Type |
Small molecular drug
|
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| Indication | Thrombosis [ICD-11: DB61-GB90; ICD-10: I80-I82] | Terminated | [1] | |
| Company |
Squibb Corp
|
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| Structure |
 |
Download2D MOL |
||
| Formula |
C30H40N2O5
|
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| Canonical SMILES |
C1CCC(CC1)CCCCNC(=O)C2=COC(=N2)C3C4CCC(C3CC5=CC=CC=C5CCC(=O)O)O4
|
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| InChI |
1S/C30H40N2O5/c33-27(34)16-13-21-11-4-5-12-22(21)18-23-25-14-15-26(37-25)28(23)30-32-24(19-36-30)29(35)31-17-7-6-10-20-8-2-1-3-9-20/h4-5,11-12,19-20,23,25-26,28H,1-3,6-10,13-18H2,(H,31,35)(H,33,34)/t23-,25-,26+,28-/m0/s1
|
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| InChIKey |
MWTFNTGEEFCRGV-ZEIIVYBKSA-N
|
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Thromboxane A2 receptor (TBXA2R) | Target Info | Modulator | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Platelet activation | ||||
| Reactome | Prostanoid ligand receptors | |||
| G alpha (q) signalling events | ||||
| G alpha (12/13) signalling events | ||||
| Thromboxane signalling through TP receptor | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Small Ligand GPCRs | ||||
| Signal amplification | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001755) | |||
| REF 2 | Conformationally-restricted analogs of TXA2 antagonist SQ 33,961: Receptor binding conformation of the carboxyl sidechain. Bioorganic & Medicinal Chemistry Letters Volume 1, Issue 9, 1991, Pages 465-470. | |||
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