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Compound Detail

CHEMBL15527

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CCOc1cc(-c2ccccc2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL15527
Phase Preclinical
Structure Type MOL
InChI Key HUWDUVNMZCVTNR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
4.30
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.69
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 C17H15NO
MW 249.31
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.90

Activity Summary

IC50 2 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 5.7 5.57 2010.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

Data from ChEMBL 36 via Core Engine