Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05WSM
|
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| Former ID |
DNC006942
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| Drug Name |
HESPERADIN
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C29H32N4O3S
|
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| Canonical SMILES |
CCS(=O)(=O)NC1=CC2=C(C=C1)NC(=C2C(=NC3=CC=C(C=C3)CN4CCCCC4)C5=CC=CC=C5)O
|
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| InChI |
1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,31-32,34H,2,4,7-8,17-18,20H2,1H3
|
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| InChIKey |
HYHIYZMIFPJROG-UHFFFAOYSA-N
|
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| CAS Number |
CAS 422513-13-1
|
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| PubChem Compound ID | ||||
| PubChem Substance ID |
15133789, 22543938, 39981007, 80303800, 85864504, 99437207, 103645273, 104066389, 124757319, 125164123, 125267720, 134344147, 135727418, 136348242, 136367537, 144226158, 152258374, 160646064, 160647211, 162011814, 162037649, 162202571, 163685646, 164045139, 164193994, 172650070, 172919068, 174529352, 180089391, 186014482, 188899572, 198956547, 223385818, 223705102, 227357866, 227357871, 249814487, 252082216, 252109924, 252160725, 252166566, 252215538
|
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| ChEBI ID |
CHEBI:70726
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aurora B messenger RNA (AURKB mRNA) | Target Info | Inhibitor | [2] |
| Pathway Interaction Database | Aurora B signaling | |||
| Signaling by Aurora kinases | ||||
| Aurora C signaling | ||||
| FOXM1 transcription factor network | ||||
| Aurora A signaling | ||||
| Reactome | APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins in late mitosis/early G1 | |||
| Separation of Sister Chromatids | ||||
| Resolution of Sister Chromatid Cohesion | ||||
| RHO GTPases Activate Formins | ||||
| Mitotic Prometaphase | ||||
| WikiPathways | Mitotic Metaphase and Anaphase | |||
| Mitotic Prometaphase | ||||
| Regulation of Microtubule Cytoskeleton | ||||
| miR-targeted genes in lymphocytes - TarBase | ||||
| miR-targeted genes in epithelium - TarBase | ||||
| APC/C-mediated degradation of cell cycle proteins | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8354). | |||
| REF 2 | Discovery of novel and potent thiazoloquinazolines as selective Aurora A and B kinase inhibitors. J Med Chem. 2006 Feb 9;49(3):955-70. | |||
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