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Compound Detail

CHEMBL3194726

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NC(=O)c1ccccc1N/C=C/C(=O)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3194726
Phase Preclinical
Structure Type MOL
InChI Key HWQCRIJNMSCDRM-MDZDMXLPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.73
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.65
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 C16H13FN2O2
MW 284.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.26

Activity Summary

EC50 1 meas. best 4.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.64 4.64 22981.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 22981.0 nM 4.64 PUBCHEM_BIOASSAY: Luminescence-based Microorganism Dose Response HTS to Identify... -

Data from ChEMBL 36 via Core Engine