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Compound Detail

CHEMBL2007603

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O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(F)cc12

Basic Information

ChEMBL ID CHEMBL2007603
Phase Preclinical
Structure Type MOL
InChI Key AMVPASHAQNNOFN-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
4.43
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 C16H10F4N4O
MW 350.28
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.99

Activity Summary

Ki 5 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 8
CHEMBL5719
Ki 7.1 7.1 79.4 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 7.0 7.0 100.0 1
Activin receptor type-1
CHEMBL5903
Ki 5.8 5.8 1584.9 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
Ki 5.7 5.7 1995.3 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 5.5 5.5 3162.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine