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Compound Detail

CHEMBL1569232

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O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23

Basic Information

ChEMBL ID CHEMBL1569232
Phase Preclinical
Structure Type MOL
InChI Key FIXGNCWNTHTYMQ-UHFFFAOYSA-N
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
4.24
ALogP
5
HBA
1
HBD
68.3
PSA (Ų)
0.54
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 C19H12N2O3
MW 316.32
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.07

Activity Summary

EC50 3 meas. best 6.76
IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-binding protein pos-1
CHEMBL1293304
EC50 6.76 6.76 173.0 1
Unchecked
CHEMBL612545
EC50 4.75 4.75 17950.0 1
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 4.62 4.62 23960.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2
CHEMBL2095163
EC50 4.61 4.61 24320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine