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Compound Detail

CHEMBL255941

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O=c1cc(O)ccn1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255941
Phase Preclinical
Structure Type MOL
InChI Key BWJTWAQPNGXYEP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

201.2
MW (Da)
1.60
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO2
MW 201.22
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.72

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