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Compound Detail

CHEMBL589898

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Cn1/c(=N/NC(=O)OC2CCCC2)sc2cc(OC(F)(F)F)ccc21

Basic Information

ChEMBL ID CHEMBL589898
Phase Preclinical
Structure Type MOL
InChI Key SSGPSIBBFMTEPE-UYRXBGFRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
3.62
ALogP
6
HBA
1
HBD
64.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16F3N3O3S
MW 375.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.46

Activity Summary

EC50 1 meas. best 7.54

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 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20020710 10.1021/jm901497b Mus musculus 2
20020710 10.1021/jm901497b Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) 1
20020710 10.1021/jm901497b Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine