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Compound Detail

CHEMBL362918

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COc1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12

Basic Information

ChEMBL ID CHEMBL362918
Phase Preclinical
Structure Type MOL
InChI Key MIJQKBOAXDFNIZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
4.53
ALogP
4
HBA
0
HBD
26.5
PSA (Ų)
0.54
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 C17H14N2OS
MW 294.38
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.88

Activity Summary

EC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
EC50 5.35 5.35 4440.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus EC50 = 4440.0 nM 5.35 Concentration required to inhibit dexamethasone-induced death of mice thymocytes 16190767

Literature References

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

Data from ChEMBL 36 via Core Engine