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Compound Detail

CHEMBL1824664

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CCCc1cc(-c2nc(-c3ccccc3OC)cs2)ccn1

Basic Information

ChEMBL ID CHEMBL1824664
Phase Preclinical
Structure Type MOL
InChI Key UIQZGUHSTKZKGY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
4.83
ALogP
4
HBA
0
HBD
35.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2OS
MW 310.42
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol regulatory element-binding protein 2
CHEMBL1795166
IC50 5.5 5.5 3200.0 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
24967731 10.1021/jm500833f Mycobacterium tuberculosis 1
24967731 10.1021/jm500833f No relevant target 1

Data from ChEMBL 36 via Core Engine