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Compound Detail

CHEMBL1824658

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CCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1

Basic Information

ChEMBL ID CHEMBL1824658
Phase Preclinical
Structure Type MOL
InChI Key WAUMGXOXXFKMTR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
4.74
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2S
MW 280.40
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.77

Activity Summary

IC50 2 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol regulatory element-binding protein 1
CHEMBL4630818
IC50 5.3 5.3 5000.0 1
Sterol regulatory element-binding protein 2
CHEMBL1795166
IC50 5.17 5.17 6800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21561152 10.1021/jm200304y Sterol regulatory element-binding protein 2 1
33899473 10.1021/acs.jmedchem.0c02179 Sterol regulatory element-binding protein 1 1

Data from ChEMBL 36 via Core Engine