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Compound Detail

CHEMBL1486387

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O=C(/C=C/c1ccncc1)c1ccc(NC(=O)c2ccccc2F)cc1

Basic Information

ChEMBL ID CHEMBL1486387
Phase Preclinical
Structure Type MOL
InChI Key XLPILTJEDAWGFX-BJMVGYQFSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.37
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15FN2O2
MW 346.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.35

Activity Summary

EC50 2 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.09 6.02 813.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine