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Compound Detail

CHEMBL2007479

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CCCCNc1nc(N)c(C(=O)c2ccccc2)s1

Basic Information

ChEMBL ID CHEMBL2007479
Phase Preclinical
Structure Type MOL
InChI Key JGBCLJZMLUMHOO-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
3.17
ALogP
5
HBA
2
HBD
68.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3OS
MW 275.38
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.35

Activity Summary

Ki 9 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 7.0 7.0 100.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 6.8 6.8 158.5 1
Cyclin-dependent kinase 9
CHEMBL3116
Ki 6.7 6.7 199.5 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
Ki 6.7 6.7 199.5 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.5 6.5 316.2 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 6.5 6.5 316.2 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 5.9 5.9 1258.9 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 5.6 5.6 2511.9 1
LIM domain kinase 1
CHEMBL3836
Ki 5.5 5.5 3162.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine