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Compound Detail

CHEMBL1824661

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CCCc1cc(-c2nc(-c3ccc(OC(=O)c4ccccc4)cc3)cs2)ccn1

Basic Information

ChEMBL ID CHEMBL1824661
Phase Preclinical
Structure Type MOL
InChI Key UTQIDXTXWUQIBV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
6.04
ALogP
5
HBA
0
HBD
52.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N2O2S
MW 400.50
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol regulatory element-binding protein 2
CHEMBL1795166
IC50 5.11 5.11 7700.0 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