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Compound Detail

CHEMBL5755579

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CC1(CCN2C(=O)c3ccccc3C2=O)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21

Basic Information

ChEMBL ID CHEMBL5755579
Phase Preclinical
Structure Type MOL
InChI Key CWQSPWWPLXOCGX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
1.48
ALogP
8
HBA
2
HBD
126.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N6O4
MW 430.42
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
IC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine