romidepsin   Click here for help

GtoPdb Ligand ID: 7006

Synonyms: FK228 | FR901228 | Istodax®
Approved drug
romidepsin is an approved drug (FDA (2009))
Compound class: Synthetic organic
Comment: Romidepsin is an anticancer agent originally isolated from the bacterium Chromobacterium violaceum, but subsequently produced synthetically. Romidepsin is an inhibitor of Class II histone deacetylases (HDACs).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 193.3
Molecular weight 540.21
XLogP 3.62
No. Lipinski's rules broken 0
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Isomeric SMILES C/C=C/1\NC(=O)[C@H]2CSSCC/C=C/[C@@H](OC(=O)[C@@H](NC1=O)C(C)C)CC(=O)N[C@@H](C(=O)N2)C(C)C
InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2009))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8656 romidepsin
Synonyms Click here for help
FK228 | FR901228 | Istodax®
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9679799
Reactome Reaction Reactome logo R-HSA-9679787
Other databases
CAS Registry No. 128517-07-7
ChEMBL Ligand CHEMBL343448
DrugCentral Ligand 4119
GtoPdb PubChem SID 178103585
PubChem CID 5352062
Search Google for chemical match using the InChIKey OHRURASPPZQGQM-GCCNXGTGSA-N
Search Google for chemicals with the same backbone OHRURASPPZQGQM
Search PubMed clinical trials romidepsin
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UniChem Compound Search for chemical match using the InChIKey OHRURASPPZQGQM-GCCNXGTGSA-N
UniChem Connectivity Search for chemical match using the InChIKey OHRURASPPZQGQM-GCCNXGTGSA-N
Wikipedia Romidepsin

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FK 228 (links to external site)
Cat. No. 3515