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Compound Detail

CHEMBL1967662

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CC(C)(CO)CCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1

Basic Information

ChEMBL ID CHEMBL1967662
Phase Preclinical
Structure Type MOL
InChI Key NIUJTENHSPPCKO-UHFFFAOYSA-N
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.9
MW (Da)
4.49
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23ClN4O
MW 358.87
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.64

Activity Summary

Ki 10 meas. best 9.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 9.2 9.2 0.6 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 8.1 8.1 7.9 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 8.0 8.0 10.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 7.5 7.5 31.6 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 7.5 7.5 31.6 1
Cyclin-dependent kinase 7
CHEMBL3055
Ki 7.1 7.1 79.4 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 7.0 7.0 100.0 1
Cyclin-dependent kinase 9
CHEMBL3116
Ki 6.8 6.8 158.5 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.4 6.4 398.1 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 5.8 5.8 1584.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine