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Compound Detail

CHEMBL1996339

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C=CCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1

Basic Information

ChEMBL ID CHEMBL1996339
Phase Preclinical
Structure Type MOL
InChI Key VIZWJTHWUUQVGO-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.8
MW (Da)
3.88
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.56
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 C15H13ClN4
MW 284.75
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.16

Activity Summary

Ki 9 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 9.1 9.1 0.8 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 8.4 8.4 4.0 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 7.9 7.9 12.6 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 7.3 7.3 50.1 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 7.0 7.0 100.0 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 7.0 7.0 100.0 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 6.4 6.4 398.1 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 6.2 6.2 631.0 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.1 6.1 794.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine