Compound Detail
CHEMBL5822114
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COc1cc(-c2cnc3[nH]cc(-c4ccc(CNC(=O)Cc5ccccc5)cc4)c3c2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL5822114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLEWYUJEELRYOJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
5.78
ALogP
5
HBA
2
HBD
85.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
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
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 | IC50 | = | 550.0 | nM | 6.26 | Radiometric Filter Plate Assay: 200 ng (130 nM) MLK3 (Dundee, DU8313) was incuba... | - |
| Mitogen-activated protein kinase kinase kinase 11 | IC50 | = | 550.0 | nM | 6.26 | Radiometric Filter Plate MLK3 Assay: 200 ng (130 nM) MLK3 (Dundee, DU8313) was i... | - |
Data from ChEMBL 36 via Core Engine