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Compound Detail

CHEMBL5806212

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COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5806212
Phase Preclinical
Structure Type MOL
InChI Key NAERTZQPGUWZOO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.2
MW (Da)
3.50
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10F4N2O2
MW 314.24
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.04

Activity Summary

IC50 1 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.36 7.36 44.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 44.0 nM 7.36 Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef... -

Data from ChEMBL 36 via Core Engine