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Compound Detail

CHEMBL1824675

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CCCc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cs2)ccn1

Basic Information

ChEMBL ID CHEMBL1824675
Phase Preclinical
Structure Type MOL
InChI Key PSIIDDOTVGEEHU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
5.93
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O2S2
MW 449.60
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol regulatory element-binding protein 2
CHEMBL1795166
IC50 5.64 5.64 2300.0 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

Data from ChEMBL 36 via Core Engine