ingenol mebutate (picato) Report issue

Small molecule Approved FDA First in Class
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

430.5339

ALogP

2.33

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C\C=C(\C)C(=O)O[C@H]1C(C)=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C
  • InChIKey: VDJHFHXMUKFKET-WDUFCVPESA-N
    1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1863513   ChEMBL
ingenol mebutate

CHEMBL2165402   ChEMBL
ingenol

7686S50JAH   NCATS
ingenol mebutate *

Ingenol mebutate   Wikipedia

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