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Compound Detail

CHEMBL1991410

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O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1c(F)cccc1F

Basic Information

ChEMBL ID CHEMBL1991410
Phase Preclinical
Structure Type MOL
InChI Key BBZSEXSOPOXLIQ-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.8
MW (Da)
4.81
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.50
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 C19H11ClF2N4O
MW 384.77
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.47

Activity Summary

Ki 9 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.6 8.6 2.5 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 8.0 8.0 10.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
Ki 7.3 7.3 50.1 1
Cyclin-dependent kinase 8
CHEMBL5719
Ki 7.2 7.2 63.1 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 7.1 7.1 79.4 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.6 6.6 251.2 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 6.4 6.4 398.1 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 6.0 6.0 1000.0 1
Leucine-rich repeat serine/threonine-protein kinase 2
CHEMBL1075104
Ki 5.7 5.7 1995.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine