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Compound Detail

CHEMBL1480880

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COc1ccc2c(=O)cc(-c3ccncc3)oc2c1OC

Basic Information

ChEMBL ID CHEMBL1480880
Phase Preclinical
Structure Type MOL
InChI Key ALQKKXUUQCNATE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
2.87
ALogP
5
HBA
0
HBD
61.6
PSA (Ų)
0.74
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 C16H13NO4
MW 283.28
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.46

Activity Summary

IC50 2 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor coactivator 3
CHEMBL1615382
IC50 5.5 5.5 3161.0 1
Nuclear receptor coactivator 1
CHEMBL1615387
IC50 4.96 4.96 11009.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine