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Compound Detail

CHEMBL1969920

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CN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1

Basic Information

ChEMBL ID CHEMBL1969920
Phase Preclinical
Structure Type MOL
InChI Key LOMGAGWJYPGDLT-UHFFFAOYSA-N
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.8
MW (Da)
4.91
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.53
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 C20H17ClN4
MW 348.84
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.20

Activity Summary

Ki 8 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.1 8.1 7.9 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 7.7 7.7 19.9 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 7.5 7.5 31.6 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 7.4 7.4 39.8 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 7.4 7.4 39.8 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 6.8 6.8 158.5 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 6.7 6.7 199.5 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.6 6.6 251.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine