Compound Detail
CHEMBL6039009
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CC1(C)COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)c(N4CCOCC4)cn3)cccc2-c2nnnn21
Basic Information
| ChEMBL ID | CHEMBL6039009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRSITXNNLPBJBO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
3.01
ALogP
11
HBA
1
HBD
125.1
PSA (Ų)
0.42
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 0.5 | nM | 9.3 | RBC Kinase Assay Protocol: Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgC... | - |
Data from ChEMBL 36 via Core Engine