Details of the Drug

General Information of Drug (ID: DMGHLG5)

Drug Name
Withaferin A
Synonyms Heat shock factor 1 inhibitor (melanoma), University of Kansas; HSF-1 inhibitor (melanoma), University of Kansas
Indication
Disease Entry ICD 11 Status REF
Melanoma 2C30 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C28H38O6
Canonical SMILES
CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO
InChI
InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
InChIKey
DBRXOUCRJQVYJQ-CKNDUULBSA-N
Cross-matching ID
PubChem CID
265237
ChEBI ID
CHEMBL517080
CAS Number
5119-48-2
TTD ID
D0V3PN
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References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006527)