Compound Detail
CHEMBL5985740
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CC(=O)N1CCN(C(=O)c2ccc(-c3cnc4[nH]cc(-c5ccc(C(N)=O)cc5)c4c3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5985740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZKHNKRHVXTHHS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
3.30
ALogP
4
HBA
2
HBD
112.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
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