Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5412763

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cc(N2CCc3sc(Br)cc3C2)cc(C)c1NC(=O)CC(C)(C)C

Basic Information

ChEMBL ID CHEMBL5412763
Phase Preclinical
Structure Type MOL
InChI Key FONLKDOANLSAGT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.4
MW (Da)
6.06
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.64
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27BrN2OS
MW 435.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.48

Activity Summary

EC50 1 meas. best 8.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3)
CHEMBL2221348
EC50 8.01 8.01 9.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37012671 10.1021/acs.jmedchem.2c01975 Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) 1

Data from ChEMBL 36 via Core Engine