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Compound Detail

CHEMBL1999496

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Cc1cccc(C2(c3cccc(C)c3)CC2C(=O)Nc2ccncc2)c1

Basic Information

ChEMBL ID CHEMBL1999496
Phase Preclinical
Structure Type MOL
InChI Key MJLKHAZEWYICMC-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
4.64
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O
MW 342.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.80

Activity Summary

Ki 9 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase PLK3
CHEMBL4897
Ki 6.8 6.8 158.5 1
Epidermal growth factor receptor
CHEMBL203
Ki 6.5 6.5 316.2 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 6.4 6.4 398.1 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 6.0 6.0 1000.0 1
Tyrosine-protein kinase FRK
CHEMBL4223
Ki 5.8 5.8 1584.9 1
Protein kinase C delta type
CHEMBL2996
Ki 5.7 5.7 1995.3 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 5.5 5.5 3162.3 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase Nek4
CHEMBL5819
Ki 5.3 5.3 5011.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine