Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0QC0W
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| Former ID |
DNC006943
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| Drug Name |
ZM-447439
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| Synonyms |
331771-20-1; ZM-447439; ZM447439; ZM 447439; N-[4-[[6-METHOXY-7-[3-(4-MORPHOLINYL)PROPOXY]-4-QUINAZOLINYL]AMINO]PHENYL]BENZAMIDE; TCMDC-125873; UNII-RSN3P9776R; CHEMBL202721; RSN3P9776R; N-(4-((6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl)amino)phenyl)benzamide; C29H31N5O4; N-[4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)phenyl]benzamide; N-(4-{[6-Methoxy-7-(3-Morpholin-4-Ylpropoxy)quinazolin-4-Yl]amino}phenyl)benzamide
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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 |
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| Formula |
C29H31N5O4
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| Canonical SMILES |
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5
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| InChI |
1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
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| InChIKey |
OGNYUTNQZVRGMN-UHFFFAOYSA-N
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| CAS Number |
CAS 331771-20-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
14884865, 24194000, 29215551, 45986066, 46514557, 49853967, 57373778, 62690437, 80087595, 85860329, 99008595, 99436911, 103482586, 103905341, 123055327, 124757001, 124892237, 125163806, 125333858, 126617500, 126661172, 126664675, 126730511, 131480757, 134344148, 134964439, 135698591, 136367301, 136367716, 136378426, 140726703, 143496932, 152058909, 152212817, 152233314, 152258094, 152344038, 160646933, 160815791, 162011439, 162023442, 162037436, 162193005, 162838419, 164193989, 164834284, 170474579, 172649973, 174474521, 174528805
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| ChEBI ID |
CHEBI:91376
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aurora kinase A (AURKA) | Target Info | Inhibitor | [2] |
| 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: 8353). | |||
| REF 2 | Accurate prediction of the relative potencies of members of a series of kinase inhibitors using molecular docking and MM-GBSA scoring. J Med Chem. 2006 Aug 10;49(16):4805-8. | |||
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