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Compound Detail

CHEMBL1517037

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Cc1ccc(C2C(C#N)=C(N)Oc3cc(N)ccc32)cc1

Basic Information

ChEMBL ID CHEMBL1517037
Phase Preclinical
Structure Type MOL
InChI Key WCZDODNEUXVJGQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
2.80
ALogP
4
HBA
2
HBD
85.1
PSA (Ų)
0.78
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 C17H15N3O
MW 277.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.03

Activity Summary

IC50 2 meas. best 4.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G protein-coupled receptor kinase 6
CHEMBL6144
IC50 4.59 4.59 25960.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine