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Compound Detail

CHEMBL1981744

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O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(Cl)ccc12

Basic Information

ChEMBL ID CHEMBL1981744
Phase Preclinical
Structure Type MOL
InChI Key JUTMUSMWCYHBGU-UHFFFAOYSA-N
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.7
MW (Da)
4.95
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10ClF3N4O
MW 366.73
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.90

Activity Summary

Ki 10 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 8.1 8.1 7.9 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 7.8 7.8 15.8 1
Activin receptor type-1
CHEMBL5903
Ki 6.0 6.0 1000.0 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 5.9 5.9 1258.9 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
Ki 5.7 5.7 1995.3 1
High affinity nerve growth factor receptor
CHEMBL2815
Ki 5.6 5.6 2511.9 1
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 5.6 5.6 2511.9 1
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
Ki 5.5 5.5 3162.3 1
Tyrosine-protein kinase ABL1
CHEMBL1862
Ki 5.4 5.4 3981.1 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 5.4 5.4 3981.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine