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Compound Detail

CHEMBL258095

IROMYCIN AO
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CCCc1c(C/C=C(\C)C/C=C/C(C)C)oc(=O)c(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258095
Name IROMYCIN AO
Phase Preclinical
Structure Type MOL
InChI Key RSPHANBIMXMURX-DTCTWCMCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
4.70
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H28O3
MW 304.43
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.93

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