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Compound Detail

CHEMBL1351441

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COc1ccc(/C=C/c2ccc(O)nn2)cc1

Basic Information

ChEMBL ID CHEMBL1351441
Phase Preclinical
Structure Type MOL
InChI Key UVMVSZYSDAZBBI-GORDUTHDSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

228.2
MW (Da)
2.36
ALogP
4
HBA
1
HBD
55.2
PSA (Ų)
0.88
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 C13H12N2O2
MW 228.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.63

Activity Summary

EC50 2 meas. best 6.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.84 5.905 143.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine