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Compound Detail

CHEMBL284153

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c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL284153
Phase Preclinical
Structure Type MOL
InChI Key MJPCBPHRCHYZRH-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
5.00
ALogP
2
HBA
1
HBD
41.8
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N2O
MW 286.33
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.00

Activity Summary

IC50 2 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
IC50 6.54 6.54 290.0 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
33479606 10.1039/c9md00468h HeLa 1
33479606 10.1039/c9md00468h Plasmodium falciparum 1
33479606 10.1039/c9md00468h Hemozoin 1

Data from ChEMBL 36 via Core Engine