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Compound Detail

CHEMBL1999279

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CC(C)(Nc1nccc(-c2c[nH]c3ncccc23)n1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL1999279
Phase Preclinical
Structure Type MOL
InChI Key UDRXOUVRNMKWQA-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
4.37
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.58
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 C20H19N5
MW 329.41
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.02

Activity Summary

Ki 9 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
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 7.9 7.9 12.6 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 7.8 7.8 15.8 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 7.8 7.8 15.8 1
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 7.7 7.7 19.9 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 7.6 7.6 25.1 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 6.9 6.9 125.9 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 6.5 6.5 316.2 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 5.9 5.9 1258.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine