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Compound Detail

CHEMBL1388372

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N#C/C(=C/c1ccc(-c2ccccc2)o1)c1nc(-c2cccs2)cs1

Basic Information

ChEMBL ID CHEMBL1388372
Phase Preclinical
Structure Type MOL
InChI Key GWMFKNFHWXZYIZ-PTNGSMBKSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
6.20
ALogP
5
HBA
0
HBD
49.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12N2OS2
MW 360.46
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.01

Activity Summary

EC50 2 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Troponin, cardiac muscle
CHEMBL2095202
EC50 6.21 6.21 615.4 1
Unchecked
CHEMBL612545
EC50 6.01 6.01 980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine