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Compound Detail

CHEMBL260257

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COc1ccc(Cn2ccc(OCCCn3c4ccccc4c4ccccc43)cc2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260257
Phase Preclinical
Structure Type MOL
InChI Key KQBWZCYCTLKATL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
5.48
ALogP
5
HBA
0
HBD
45.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26N2O3
MW 438.53
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.87

Literature References

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

Data from ChEMBL 36 via Core Engine