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Compound Detail

CHEMBL5746392

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C#CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5746392
Phase Preclinical
Structure Type MOL
InChI Key KCJKBDSDWQWVCR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
3.42
ALogP
3
HBA
2
HBD
71.1
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 C20H18F3N3O2
MW 389.38
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.66

Activity Summary

EC50 2 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Anoctamin-1
CHEMBL2046267
 EC50 6.82 6.82 150.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Anoctamin-1 EC50 = 150.0 nM 6.82 Automated Whole-Cell Patch Clamp Assay to Detect TMEM16A Activity in Recombinant... -
Anoctamin-1 EC50 = 150.0 nM 6.82 Automated Whole-Cell Patch Clamp Assay: Cell Culture and PreparationFisher rat t... -

Data from ChEMBL 36 via Core Engine