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Compound Detail

CHEMBL2003637

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O=[N+]([O-])c1cccc(-c2nnc3ccc(N4CCCCC4)nn23)c1

Basic Information

ChEMBL ID CHEMBL2003637
Phase Preclinical
Structure Type MOL
InChI Key JEYOQYMSSQZLJL-UHFFFAOYSA-N
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
2.69
ALogP
7
HBA
0
HBD
89.5
PSA (Ų)
0.54
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 C16H16N6O2
MW 324.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.67

Activity Summary

Ki 8 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.2 8.2 6.3 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 8.0 8.0 10.0 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 7.9 7.9 12.6 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 7.5 7.5 31.6 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 7.4 7.4 39.8 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 6.2 6.2 631.0 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 6.2 6.2 631.0 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine