Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06GNE
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| Former ID |
DIB019770
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| Drug Name |
IC86621
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| Synonyms |
DNA-PK Inhibitor III; 404009-40-1; IC86621; 1-(2-HYDROXY-4-MORPHOLINOPHENYL)ETHANONE; 1-(2-Hydroxy-4-morpholin-4-yl-phenyl)ethanone; CHEMBL1317546; Ethanone, 1-[2-hydroxy-4-(4-morpholinyl)phenyl]-; SCHEMBL600210; GTPL5960; CTK1D4579; CHEBI:95245; DTXSID40431950; MolPort-027-354-881; HMS3229C13; BCP08943; ZINC3817773; BDBM50398036; AR2783; 4512AH; IN1363; AKOS017560291; CCG-206744; NCGC00165807-01; AS-45440; IC 86621; RT-012395; 1-(2-hydroxy-4-morpholinophenyl)ethan-1-one; A-8048; 1-[2-hydroxy-4-(morpholin-4-yl)phenyl]ethan-1-one
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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 |
C12H15NO3
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| Canonical SMILES |
CC(=O)C1=C(C=C(C=C1)N2CCOCC2)O
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| InChI |
1S/C12H15NO3/c1-9(14)11-3-2-10(8-12(11)15)13-4-6-16-7-5-13/h2-3,8,15H,4-7H2,1H3
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| InChIKey |
YHKSBKQXCWHTQL-UHFFFAOYSA-N
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| CAS Number |
CAS 404009-40-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
14822702, 24152678, 24895962, 26758567, 29217565, 45281604, 53800803, 57373578, 76935239, 85845066, 99302650, 121379634, 137013883, 139537292, 162248649, 162527473, 163315731, 163347060, 163688272, 164213621, 175607399, 178102583, 179042908, 184818063, 188942255, 204375287, 208265013, 208265533, 212559559, 226902925, 249127951, 252483881
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| ChEBI ID |
CHEBI:95245
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | DNA-dependent protein kinase catalytic (PRKDC) | Target Info | Inhibitor | [2] |
| KEGG Pathway | Non-homologous end-joining | |||
| Cell cycle | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| Pathway Interaction Database | DNA-PK pathway in nonhomologous end joining | |||
| Coregulation of Androgen receptor activity | ||||
| Class I PI3K signaling events mediated by Akt | ||||
| BARD1 signaling events | ||||
| Reactome | Nonhomologous End-Joining (NHEJ) | |||
| WikiPathways | DNA Damage Response | |||
| Non-homologous end joining | ||||
| FAS pathway and Stress induction of HSP regulation | ||||
| Cytosolic sensors of pathogen-associated DNA | ||||
| Retinoblastoma (RB) in Cancer | ||||
| Prostate Cancer | ||||
| Double-Strand Break Repair | ||||
| Cell Cycle | ||||
| miRNA Regulation of DNA Damage Response | ||||
| 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: 5960). | |||
| REF 2 | Modulation of DNA repair by pharmacological inhibitors of the PIKK protein kinase family. Bioorg Med Chem Lett. 2012 Sep 1;22(17):5352-9. | |||
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