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Compound Detail

CHEMBL5932747

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CN1C2CCC1CC1(C2)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21

Basic Information

ChEMBL ID CHEMBL5932747
Phase Preclinical
Structure Type MOL
InChI Key AJIAZDPEWUHLNA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.8
MW (Da)
1.69
ALogP
7
HBA
2
HBD
92.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClN6O2
MW 386.84
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.69

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