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Compound Detail

CHEMBL1991356

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COc1cccc(-c2cc3c(=O)[nH]c4ccccc4n3c2)c1

Basic Information

ChEMBL ID CHEMBL1991356
Phase Preclinical
Structure Type MOL
InChI Key MQAKXLBEDXFDMV-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
3.46
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.61
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 C18H14N2O2
MW 290.32
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.68

Activity Summary

Ki 9 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase I isoform delta
CHEMBL2828
Ki 6.8 6.8 158.5 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 6.8 6.8 158.5 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 6.6 6.6 251.2 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.3 6.3 501.2 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 6.2 6.2 631.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 5.6 5.6 2511.9 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase DCLK1
CHEMBL5683
Ki 5.4 5.4 3981.1 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine