Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0T8KR
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| Former ID |
DNC014447
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| Drug Name |
TWS-119
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| Synonyms |
TWS119; 601514-19-6; TWS-119; 3-[[6-(3-Aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol; TWS 119; GSK inhibitor XII; GSK-3beta Inhibitor XII, TWS119; Neurogenesis Inducer, TWS119; CHEMBL405759; 3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenol; 3-((6-(3-AMINOPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)OXY)PHENOL; 3-{[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenol; Phenol, 3-[[6-(3-aminophenyl)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-; K00245; MLS006011018; GTPL5980; SCHEMBL5559045; GSK-3BETA INHIB
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C18H14N4O2
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| Canonical SMILES |
C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O
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| InChI |
1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
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| InChIKey |
VPVLEBIVXZSOMQ-UHFFFAOYSA-N
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| CAS Number |
CAS 601514-19-6
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| PubChem Compound ID | ||||
| PubChem Substance ID |
14720344, 14776903, 23984865, 26758807, 44692618, 48020050, 53800752, 80348364, 85787226, 91136600, 99302806, 103567441, 104253237, 123105101, 125335707, 134351652, 134964443, 136348261, 136367556, 136367744, 139797663, 152258259, 152344232, 160647095, 162011851, 162038068, 162202791, 163125997, 163688036, 165247649, 170497643, 170500656, 172919793, 174006978, 174529960, 175607483, 178102603, 179230462, 186005333, 204371598, 208264968, 218926473, 223399381, 223705086, 223925632, 231373952, 242060077, 244956719, 247953237, 249755532
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| ChEBI ID |
CHEBI:91384
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| 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: 5980). | |||
| REF 2 | Diversity-oriented synthesis: exploring the intersections between chemistry and biology. Nat Chem Biol. 2005 Jul;1(2):74-84. | |||
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