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Compound Detail

CHEMBL255518

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COc1ccc(Cn2ccc(O)cc2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255518
Phase Preclinical
Structure Type MOL
InChI Key ZXXOKWGPGJNNFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

231.2
MW (Da)
1.61
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO3
MW 231.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
18499454 10.1016/j.bmcl.2008.05.004 Enoyl-[acyl-carrier-protein] reductase [NADH] FabI 2
18499454 10.1016/j.bmcl.2008.05.004 Bacillus anthracis 1

Data from ChEMBL 36 via Core Engine