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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL270201
CHEMBL270201
Compound Name IROMYCIN AM
ChEMBL Synonyms iromycin AM
Max Phase 0
Trade Names
Molecular Formula C20H31NO2

Additional synonyms for CHEMBL270201 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC1=C(C\C=C(/C)\C\C=C\C(C)C)NC(=O)C(=C1OC)C
Standard InChI InChI=1S/C20H31NO2/c1-7-9-17-18(21-20(22)16(5)19(17)23-6)13- ...
Download InChI
Standard InChI Key CXEJJNIHIKGTCH-VBONDNGNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL270201

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
317.5 317.2355 4.74 8 42.09 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.63 2.72 4.82 4.82 1 23 0.7

Structural Alerts

There are 3 structural alerts for CHEMBL270201. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CXEJJNIHIKGTCH-VBONDNGNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL270201



BindingDB 50411910
PubChem 16742458
PubChem: Thomson Pharma 26721114
ZINC ZINC000029131181

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