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Compound Detail

CHEMBL1414766

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C=C(C)CN=C(S)NN=C1c2ccccc2-c2ccccc21

Basic Information

ChEMBL ID CHEMBL1414766
Phase Preclinical
Structure Type MOL
InChI Key NKGPQCKQPBCEIH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.87
ALogP
2
HBA
2
HBD
36.8
PSA (Ų)
0.25
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 C18H17N3S
MW 307.42
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.43

Activity Summary

EC50 1 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
EC50 6.02 6.02 950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine