Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D00PMS
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| Former ID |
DNC003441
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| Drug Name |
8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-
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| Synonyms |
8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-; CHEMBL326564; PU6; 8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-9H-purin-6-amine; 1uy9; Purine-Based Inhibitor 4; AC1L9MK7; BDBM15377; DB08436; 8-(1,3-benzodioxol-5-ylmethyl)-9-butylpurin-6-amine; 8-(2H-1,3-benzodioxol-5-ylmethyl)-9-butylpurin-6-amine; 8-(1,3-Benzodioxole-5-ylmethyl)-9-butyl-9H-purine-6-amine
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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 |
C17H19N5O2
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| Canonical SMILES |
CCCCN1C(=NC2=C(N=CN=C21)N)CC3=CC4=C(C=C3)OCO4
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| InChI |
1S/C17H19N5O2/c1-2-3-6-22-14(21-15-16(18)19-9-20-17(15)22)8-11-4-5-12-13(7-11)24-10-23-12/h4-5,7,9H,2-3,6,8,10H2,1H3,(H2,18,19,20)
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| InChIKey |
JCDXXNIRWRRGBX-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
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