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Compound Detail

CHEMBL1971951

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NC(=O)c1ccc(-c2ccnc(N)n2)cc1N1CCCCC1

Basic Information

ChEMBL ID CHEMBL1971951
Phase Preclinical
Structure Type MOL
InChI Key WLVIONDQKHZQTJ-UHFFFAOYSA-N
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
1.81
ALogP
5
HBA
2
HBD
98.1
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N5O
MW 297.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.98

Activity Summary

Ki 7 meas. best 8.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 8.5 8.5 3.2 1
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.1 8.1 7.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 6.0 6.0 1000.0 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 5.9 5.9 1258.9 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 5.9 5.9 1258.9 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 5.8 5.8 1584.9 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 5.3 5.3 5011.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine