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Compound Detail

CHEMBL6054384

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O=c1[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)nc2n1-c1ccc2[nH]ccc2c1

Basic Information

ChEMBL ID CHEMBL6054384
Phase Preclinical
Structure Type MOL
InChI Key ZQTJWMUYDNXFHK-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
3.09
ALogP
6
HBA
2
HBD
91.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N6O2
MW 412.45
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.40

Activity Summary

IC50 2 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase 11
CHEMBL2708
IC50 6.26 6.26 550.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine