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Compound Detail

CHEMBL5423856

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COCc1ccccc1Sc1ccc(N2CCCC2=O)cc1C#N

Basic Information

ChEMBL ID CHEMBL5423856
Phase Preclinical
Structure Type MOL
InChI Key QCRLCGHQQWFKPE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
3.98
ALogP
4
HBA
0
HBD
53.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O2S
MW 338.43
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.35

Activity Summary

IC50 2 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
IC50 5.2 5.2 6309.6 1
H9c2
CHEMBL614576
IC50 4.5 4.5 31622.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36626662 10.1021/acs.jmedchem.2c01725 H9c2 1
36626662 10.1021/acs.jmedchem.2c01725 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine