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Compound Detail

CHEMBL446391

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Cc1ccc2ccc(C(=O)NCc3ccc(F)cc3)c(O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446391
Phase Preclinical
Structure Type MOL
InChI Key PYJOUFUNFCNSTM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
3.32
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.78
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 C18H15FN2O2
MW 310.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.38

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18342517 10.1016/j.bmc.2008.02.065 No relevant target 1
18342517 10.1016/j.bmc.2008.02.065 Spinacia oleracea 1
18342517 10.1016/j.bmc.2008.02.065 Chlorella vulgaris 1
34779640 10.1021/acs.jmedchem.1c01318 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine