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Compound Detail

CHEMBL5924266

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COc1ccc(-c2cnc3[nH]c(=O)n(CC4CC4)c3n2)cc1OC

Basic Information

ChEMBL ID CHEMBL5924266
Phase Preclinical
Structure Type MOL
InChI Key WIZPOOKPFGKRAN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
2.21
ALogP
6
HBA
1
HBD
82.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N4O3
MW 326.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.91

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