cantharidin   Click here for help

GtoPdb Ligand ID: 13081

Synonyms: Ycanth® (0.7% solution, single-use topical applicator)
Approved drug
cantharidin is an approved drug (FDA (2023))
Comment: Cantharidin is a terpenoid substance that is secreted by insects such as male blister beetles. It is also synthetically manufactured. Cantharidin causes skin blisters in humans, and can be highly toxic if ingested in sufficient quantity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 52.6
Molecular weight 196.2
XLogP -0.12
No. Lipinski's rules broken 0
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Canonical SMILES C[C@@]12[C@@H]3CC[C@H]([C@@]2(C)C(=O)OC1=O)O3
Isomeric SMILES C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3
InChI InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-
Classification Click here for help
Compound class Natural product or derivative
Approved drug? Yes (FDA (2023))
International Nonproprietary Names Click here for help
INN number INN
11470 cantharidin
Synonyms Click here for help
Ycanth® (0.7% solution, single-use topical applicator)
Database Links Click here for help
CAS Registry No. 56-25-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL48449
GtoPdb PubChem SID 491299863
PubChem CID 5944
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