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Compound Detail

CHEMBL2004156

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O=c1cc(-c2cccc(F)c2)[nH]c2c(-c3ccc(F)cc3)cnn12

Basic Information

ChEMBL ID CHEMBL2004156
Phase Preclinical
Structure Type MOL
InChI Key QQXBOOIPHBWOGC-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
3.63
ALogP
3
HBA
1
HBD
50.2
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 C18H11F2N3O
MW 323.30
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.44

Activity Summary

Ki 5 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 7.2 7.2 63.1 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.9 6.9 125.9 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 6.8 6.8 158.5 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 6.3 6.3 501.2 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.7 5.7 1995.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine