Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0A5MC
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| Former ID |
DCL000169
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| Drug Name |
MLN8054
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| Synonyms |
ZZL; MLN-8054
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C00-D48; ICD-9: 140-199, 210-229] | Phase 1 | [1], [2] | |
| Therapeutic Class |
Anticancer Agents
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| Company |
Millenium; Takeda
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| Structure |
 |
Download2D MOL |
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| Formula |
C25H15ClF2N4O2
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| Canonical SMILES |
C1C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=C(C=CC=C4F)F)NC5=CC=C(C=C5)C(=O)O
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| InChI |
1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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| InChIKey |
HHFBDROWDBDFBR-UHFFFAOYSA-N
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| CAS Number |
CAS 869363-13-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
16817521, 23803070, 50100109, 75812624, 85240458, 87325745, 92728686, 103565670, 103904597, 117695998, 123055394, 124756998, 125163803, 131480681, 134338844, 134964414, 135686180, 135686181, 135686202, 135686203, 136340201, 136367298, 136920349, 137242800, 137739931, 152258105, 152344040, 160646944, 162011816, 162037433, 162723440, 163642777, 164193990, 164763083, 170496031, 174006403, 174531092, 177749042, 178102323, 180190865, 186022471, 198945325, 215776778, 223258872, 223579841, 223704701, 225331045, 226922686, 242059849, 244479327
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| ChEBI ID |
CHEBI:91366
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aurora kinase A (AURKA) | Target Info | Inhibitor | [3], [4], [5] |
| KEGG Pathway | Oocyte meiosis | |||
| Pathway Interaction Database | Aurora B signaling | |||
| Signaling by Aurora kinases | ||||
| Integrin-linked kinase signaling | ||||
| PLK1 signaling events | ||||
| Aurora A signaling | ||||
| Reactome | APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins in late mitosis/early G1 | |||
| Regulation of PLK1 Activity at G2/M Transition | ||||
| WikiPathways | EGF/EGFR Signaling Pathway | |||
| JAK/STAT | ||||
| Gastric Cancer Network 1 | ||||
| Integrated Breast Cancer Pathway | ||||
| 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: 5696). | |||
| REF 2 | ClinicalTrials.gov (NCT00652158) A Phase 1 Trial of Extended MLN8054 Dosing in Patients With Advanced Malignancies. U.S. National Institutes of Health. | |||
| REF 3 | A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22. | |||
| REF 4 | Clinical pipeline report, company report or official report of Takeda (2009). | |||
| REF 5 | MLN8054, a small-molecule inhibitor of Aurora A, causes spindle pole and chromosome congression defects leading to aneuploidy. Mol Cell Biol. 2007 Jun;27(12):4513-25. | |||
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