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Compound Detail

CHEMBL407637

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CCOC(=O)c1cc(Cn2ccc(OCc3ccccc3)cc2=O)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL407637
Phase Preclinical
Structure Type MOL
InChI Key UNJSZXKNDISPCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
2.64
ALogP
7
HBA
0
HBD
83.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O5
MW 354.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.46

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