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Compound Detail

CHEMBL1989006

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OCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1

Basic Information

ChEMBL ID CHEMBL1989006
Phase Preclinical
Structure Type MOL
InChI Key BERZRFJWHSXBCR-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

288.7
MW (Da)
2.68
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.65
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 C14H13ClN4O
MW 288.74
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.04

Activity Summary

Ki 9 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.6 8.6 2.5 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 8.4 8.4 4.0 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 7.7 7.7 19.9 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 7.1 7.1 79.4 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 6.8 6.8 158.5 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 6.7 6.7 199.5 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 6.5 6.5 316.2 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 5.8 5.8 1584.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine