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Compound Detail

CHEMBL285659

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c1ccc(-c2nc(C3OCCCCO3)[nH]c2-c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL285659
Phase Preclinical
Structure Type MOL
InChI Key UCZZPKDTPHMOKS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
4.57
ALogP
3
HBA
1
HBD
47.1
PSA (Ų)
0.77
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 C20H20N2O2
MW 320.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.44

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8691472 10.1021/jm9505876 Sterol O-acyltransferase 1 1

Data from ChEMBL 36 via Core Engine