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Compound Detail

CHEMBL270201

IROMYCIN AM
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CCCc1c(C/C=C(\C)C/C=C/C(C)C)[nH]c(=O)c(C)c1OC

Basic Information

ChEMBL ID CHEMBL270201
Name IROMYCIN AM
Phase Preclinical
Structure Type MOL
InChI Key CXEJJNIHIKGTCH-VBONDNGNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.5
MW (Da)
4.74
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31NO2
MW 317.47
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.36

Activity Summary

IC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial complex I; NADH oxidoreductase
CHEMBL614865
IC50 5.55 5.55 2800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18054490 10.1016/j.bmc.2007.11.023 Mitochondrial complex I; NADH oxidoreductase 1

Data from ChEMBL 36 via Core Engine