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Compound Detail

CHEMBL1976093

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CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1

Basic Information

ChEMBL ID CHEMBL1976093
Phase Preclinical
Structure Type MOL
InChI Key ZJAHDRFLBKWZPM-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
3.99
ALogP
7
HBA
1
HBD
71.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26FN7
MW 419.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.69

Activity Summary

Ki 9 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase I isoform delta
CHEMBL2828
Ki 7.8 7.8 15.8 1
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 6.0 6.0 1000.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 5.5 5.5 3162.3 1
Casein kinase I isoform alpha
CHEMBL2793
Ki 5.4 5.4 3981.1 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 5.4 5.4 3981.1 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 5.3 5.3 5011.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.2 5.2 6309.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine