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Compound Detail

CHEMBL1574521

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Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1N1CCCC1

Basic Information

ChEMBL ID CHEMBL1574521
Phase Preclinical
Structure Type MOL
InChI Key XUMLZVOJZSCVFY-PTNGSMBKSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.62
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N3OS
MW 315.44
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.08

Activity Summary

EC50 4 meas. best 5.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Troponin, cardiac muscle
CHEMBL2095202
EC50 5.81 5.81 1548.0 1
Unchecked
CHEMBL612545
EC50 5.79 5.2833 1610.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine