Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0G3BJ
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| Former ID |
DNC011438
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| Drug Name |
Ingenol-3-bezoate
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| Synonyms |
Ingenol-3-bezoate; CHEMBL46094; Ingenol 3-bezoate; BDBM50099646
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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 |
C27H32O6
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| Canonical SMILES |
CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C5=CC=CC=C5)C)O)O)CO
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| InChI |
1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20+,21-,23+,26?,27+/m1/s1
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| InChIKey |
VYLJAGRINUHTSF-KTOZFIMGSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structural basis of binding of high-affinity ligands to protein kinase C: prediction of the binding modes through a new molecular dynamics method a... J Med Chem. 2001 May 24;44(11):1690-701. | |||
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