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Compound Detail

CHEMBL3311256

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CN(C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3311256
Phase Preclinical
Structure Type MOL
InChI Key ULQPSHYQULWFSL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

336.8
MW (Da)
3.79
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.93
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 C16H14ClFN2O3
MW 336.75
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.83

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
24953953 10.1016/j.bmc.2014.05.064 Mycobacterium kansasii 6
24953953 10.1016/j.bmc.2014.05.064 Unchecked 5
24953953 10.1016/j.bmc.2014.05.064 Staphylococcus aureus 4
24953953 10.1016/j.bmc.2014.05.064 Mycobacterium tuberculosis 2
24953953 10.1016/j.bmc.2014.05.064 Mycobacterium avium 2
24953953 10.1016/j.bmc.2014.05.064 Enterococcus sp. 2
24953953 10.1016/j.bmc.2014.05.064 Trichophyton mentagrophytes 2
24953953 10.1016/j.bmc.2014.05.064 Staphylococcus epidermidis 2
24953953 10.1016/j.bmc.2014.05.064 HepG2 1

Data from ChEMBL 36 via Core Engine