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Compound Detail

CHEMBL6063162

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COc1c(C)cccc1Oc1ccc(C(F)(F)F)cc1C(=O)NC1=CCNC=C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6063162
Phase Preclinical
Structure Type MOL
InChI Key FWXJDTPBADITTM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
4.55
ALogP
4
HBA
2
HBD
59.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F3N2O3
MW 404.39
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.44

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 30.0 nM 7.52 Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef... -

Data from ChEMBL 36 via Core Engine