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Compound Detail

CHEMBL1986756

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CCc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1

Basic Information

ChEMBL ID CHEMBL1986756
Phase Preclinical
Structure Type MOL
InChI Key WRZNQKSBJJKEBD-UHFFFAOYSA-N
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.3
MW (Da)
4.86
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.70
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 C18H15F3N4O
MW 360.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.67

Activity Summary

Ki 6 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 7.5 7.5 31.6 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 7.3 7.3 50.1 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 7.2 7.2 63.1 1
Activin receptor type-1
CHEMBL5903
Ki 6.9 6.9 125.9 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
Ki 6.6 6.6 251.2 1
Macrophage-stimulating protein receptor
CHEMBL2689
Ki 6.4 6.4 398.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine