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

CHEMBL5200636

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
Nc1c(F)c(NCc2ncc(C(F)(F)F)cc2F)c(F)c(F)c1NC(=O)OC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5200636
Phase Preclinical
Structure Type MOL
InChI Key WTJDJRDSKNQFBM-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

438.3
MW (Da)
4.56
ALogP
5
HBA
3
HBD
89.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13F7N4O2
MW 438.30
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.01

Activity Summary

EC50 4 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 4
CHEMBL3576
 EC50 6.5 6.5 320.0 1
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL2476
 EC50 5.95 5.95 1130.0 1
Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3)
CHEMBL2221348
 EC50 5.79 5.79 1640.0 1
Potassium voltage-gated channel subfamily KQT member 5
CHEMBL2925
 EC50 5.42 5.42 3780.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium voltage-gated channel subfamily KQT member 4 EC50 = 320.0 nM 6.5 Agonist activity at Kv7.4 (unknown origin) expressed in CHO cells co-expressing ... 35671848
Potassium voltage-gated channel subfamily KQT member 2 EC50 = 1130.0 nM 5.95 Agonist activity at Kv7.2 (unknown origin) assessed as shifting of voltage depen... 35671848
Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) EC50 = 1640.0 nM 5.79 Agonist activity at Kv7.2/3 (unknown origin) expressed in CHO cells co-expressin... 35671848
Potassium voltage-gated channel subfamily KQT member 5 EC50 = 3780.0 nM 5.42 Agonist activity at Kv7.5 (unknown origin) expressed in CHO cells co-expressing ... 35671848

Literature References

PubMed DOI Target Context # Activities
35671848 10.1016/j.bmcl.2022.128841 Potassium voltage-gated channel subfamily KQT member 2 3
35671848 10.1016/j.bmcl.2022.128841 Unchecked 2
35671848 10.1016/j.bmcl.2022.128841 Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) 1
35671848 10.1016/j.bmcl.2022.128841 Potassium voltage-gated channel subfamily KQT member 4 1
35671848 10.1016/j.bmcl.2022.128841 Potassium voltage-gated channel subfamily KQT member 5 1

Data from ChEMBL 36 via Core Engine