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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1213490
CHEMBL1213490
Compound Name ROMIDEPSIN
ChEMBL Synonyms FK-228 | Istodax
Max Phase 0
Trade Names
Molecular Formula C25H39N3O6S2

Additional synonyms for CHEMBL1213490 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C=C\1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H ...
Download SMILES
Standard InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17 ...
Download InChI
Standard InChI Key UPCFDQLGZODPFB-BXJZLCHMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1213490

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
541.7 541.228 1.98 6 130.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 1 9 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.17 - 3.88 3.88 0 36 0.15

Structural Alerts

There are 12 structural alerts for CHEMBL1213490. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UPCFDQLGZODPFB-BXJZLCHMSA-N
Wikipedia Romidepsin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1213490



BindingDB 50354086
PubChem 49863499
ZINC ZINC000100371951

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UPCFDQLGZODPFB-BXJZLCHMSA-N spacer
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