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Compound Detail

CHEMBL1967564

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CCCC(=O)Nc1n[nH]c2nc3ccccc3cc12

Basic Information

ChEMBL ID CHEMBL1967564
Phase Preclinical
Structure Type MOL
InChI Key OROAFGSTGRDOFR-UHFFFAOYSA-N
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.85
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.75
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 C14H14N4O
MW 254.29
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.38

Activity Summary

Ki 10 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 7.7 7.7 19.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 6.8 6.8 158.5 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.3 6.3 501.2 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 6.2 6.2 631.0 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 6.1 6.1 794.3 1
Cyclin-dependent kinase 1
CHEMBL308
Ki 6.0 6.0 1000.0 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 5.4 5.4 3981.1 1
LIM domain kinase 1
CHEMBL3836
Ki 5.3 5.3 5011.9 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine