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Compound Detail

CHEMBL5183619

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O=C1C[C@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5183619
Phase Preclinical
Structure Type MOL
InChI Key WUBBFNQDAVWSFT-CWQZNGJJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.8
MW (Da)
3.58
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16ClF3N2O3
MW 412.80
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 8.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 8 subunit alpha
CHEMBL5202
 IC50 8.39 8.39 4.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 8 subunit alpha IC50 = 4.1 nM 8.39 Inhibition of human Nav1.8 channel stably expressed in HEK293 cells assessed as ... 35586433

Literature References

PubMed DOI Target Context # Activities
35586433 10.1021/acsmedchemlett.2c00144 Sodium channel protein type 8 subunit alpha 1

Data from ChEMBL 36 via Core Engine