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Compound Detail

CHEMBL256051

IROMYCIN AA
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CCCc1c(C/C=C(\C)C/C=C/C(C)C)[nH]c(=O)c(C)c1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL256051
Name IROMYCIN AA
Phase Preclinical
Structure Type MOL
InChI Key ASOGRXIMNDVVCK-VBONDNGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.5
MW (Da)
4.65
ALogP
3
HBA
1
HBD
59.2
PSA (Ų)
0.55
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 C21H31NO3
MW 345.48
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.37

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