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Compound Detail

CHEMBL1301287

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O=C1C(c2ccncc2)=C(O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL1301287
Phase Preclinical
Structure Type MOL
InChI Key JUTDMVMGNNVIOM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

223.2
MW (Da)
2.70
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9NO2
MW 223.23
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.03

Activity Summary

IC50 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 5.17 5.17 6691.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine