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Compound Detail

CHEMBL5182397

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O=C1C[C@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)c2)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5182397
Phase Preclinical
Structure Type MOL
InChI Key XJXRTLFZLXTGAR-WHUIICBVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.2
MW (Da)
4.35
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15Cl2F3N2O2
MW 431.24
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 8 subunit alpha
CHEMBL5202
 IC50 8.92 8.92 1.2 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 = 1.2 nM 8.92 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