Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00SEC
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| Former ID |
DIB018805
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| Drug Name |
aloisine
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| Synonyms |
IN1538; RP106
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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 |
C17H19N3O
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| Canonical SMILES |
CCCCC1=C(NC2=NC=CN=C12)C3=CC=C(C=C3)OC
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| InChI |
1S/C17H19N3O/c1-3-4-5-14-15(12-6-8-13(21-2)9-7-12)20-17-16(14)18-10-11-19-17/h6-11H,3-5H2,1-2H3,(H,19,20)
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| InChIKey |
WVMANZPBOBRWCB-UHFFFAOYSA-N
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| CAS Number |
CAS 496864-15-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
4963298, 9824244, 11108155, 16146302, 26758199, 37836728, 48095584, 51172427, 53800978, 57356450, 71750028, 85787192, 99302622, 103278247, 112073773, 162253865, 163122568, 163688629, 164835226, 175607455, 178102546, 179230463, 184600767, 196376753, 204380521, 208265184, 226458815, 244125054, 252451179
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| ChEBI ID |
CHEBI:92890
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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: 5923). | |||
| REF 2 | Identification of binding specificity-determining features in protein families. J Med Chem. 2012 Mar 8;55(5):1926-39. | |||
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