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Compound Detail

CHEMBL272324

IROMYCIN M
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CCCCC/C(C)=C/Cc1[nH]c(=O)c(C)c(O)c1CCC

Basic Information

ChEMBL ID CHEMBL272324
Name IROMYCIN M
Phase Preclinical
Structure Type MOL
InChI Key VICBRJCQEHYYSJ-ACCUITESSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
4.41
ALogP
2
HBA
2
HBD
53.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H29NO2
MW 291.44
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.18

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial complex I; NADH oxidoreductase
CHEMBL614865
IC50 6.0 6.0 1010.0 1
L929
CHEMBL612267
IC50 4.18 4.18 66000.0 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
18054490 10.1016/j.bmc.2007.11.023 L929 1

Data from ChEMBL 36 via Core Engine