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Compound Detail

CHEMBL3970146

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O=C(NC1CC(F)(F)C1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1

Basic Information

ChEMBL ID CHEMBL3970146
Phase Preclinical
Structure Type MOL
InChI Key SUNGWWJHIFLEDM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
4.89
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.61
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 C20H15F4N3O2
MW 405.35
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.37

Activity Summary

IC50 2 meas. best 5.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 10 subunit alpha
CHEMBL5451
IC50 5.94 5.94 1140.0 1
Sodium channel protein type 9 subunit alpha
CHEMBL4296
IC50 5.81 5.81 1560.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine