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Compound Detail

CHEMBL1966143

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CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1c(C)cc2nc3ccccc3n2c1O

Basic Information

ChEMBL ID CHEMBL1966143
Phase Preclinical
Structure Type MOL
InChI Key CIYPTMSDKNRLGL-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.4
MW (Da)
4.01
ALogP
6
HBA
2
HBD
107.5
PSA (Ų)
0.48
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 C24H18N4O4
MW 426.43
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.21

Activity Summary

Ki 3 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Megakaryocyte-associated tyrosine-protein kinase
CHEMBL4175
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase BRSK1
CHEMBL5650
Ki 5.3 5.3 5011.9 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
Ki 5.2 5.2 6309.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine