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Compound Detail

CHEMBL129256

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c1ccc(-c2cn3c(n2)sc2ccccc23)cc1

Basic Information

ChEMBL ID CHEMBL129256
Phase Preclinical
Structure Type MOL
InChI Key GNWRURVYHSXDSD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
4.22
ALogP
3
HBA
0
HBD
17.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H10N2S
MW 250.33
Aromatic Rings 4
Heavy Atoms 18
NP-Likeness -1.91

Activity Summary

EC50 1 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
EC50 4.99 4.99 10230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus EC50 = 10230.0 nM 4.99 Concentration required to inhibit dexamethasone-induced death of mice thymocytes 16190767

Literature References

PubMed DOI Target Context # Activities
3512827 10.1021/jm00153a014 Mus musculus 4
16190767 10.1021/jm0502034 Mus musculus 2
16190767 10.1021/jm0502034 Unchecked 1

Data from ChEMBL 36 via Core Engine