Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D07ADR
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| Former ID |
DNC003611
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| Drug Name |
BOHEMINE
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| Synonyms |
bohemine; 189232-42-6; 3-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)propan-1-ol; 3-{[6-(benzylamino)-9-(propan-2-yl)-9h-purin-2-yl]amino}propan-1-ol; CHEMBL83980; CHEBI:86007; 2-(3-Hydroxypropylamino)-6-benzylamino-9-isopropylpurine; [6-Benzylamino-2-(3-hydroxypropylamino)-9-isopropylpurine; 2-[(3-hydroxypropyl)amino]-6-benzylamino-9-isopropylpurine; 3-{[6-(benzylamino)-9-isopropyl-9H-purin-2-yl]amino}propan-1-ol; purine deriv. 1; AC1L1DN2; SCHEMBL1443403; GTPL5938; BDBM10633; CTK8A4395; DTXSID00274365; EX-A931
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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 |
C18H24N6O
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| Canonical SMILES |
CC(C)N1C=NC2=C(N=C(N=C21)NCCCO)NCC3=CC=CC=C3
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| InChI |
1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)
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| InChIKey |
OPQGFIAVPSXOBO-UHFFFAOYSA-N
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| CAS Number |
CAS 189232-42-6
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| PubChem Compound ID | ||||
| PubChem Substance ID |
5510240, 8151618, 14875680, 26758319, 29217495, 29221586, 46511233, 48334281, 53800843, 57321309, 77284575, 81065550, 85787130, 99302647, 103024719, 103288934, 104300539, 121367066, 128843472, 134340816, 135314517, 141599071, 144233674, 162248323, 163079309, 163688513, 175607460, 178102561, 179148417, 204378336, 208265053, 225117139, 227654358, 252150308, 252451352
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| ChEBI ID |
CHEBI:86007
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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: 5938). | |||
| REF 2 | Docking-based development of purine-like inhibitors of cyclin-dependent kinase-2. J Med Chem. 2000 Jun 29;43(13):2506-13. | |||
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