Compound Detail
CHEMBL5862012
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Basic Information
| ChEMBL ID | CHEMBL5862012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRZBUNQRSYHIMD-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.59
ALogP
6
HBA
1
HBD
101.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.48
Kd 1 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | Kd | 9.07 | 9.07 | 0.9 | 1 |
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 8.48 | 8.41 | 3.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 | Kd | = | 0.86 | nM | 9.07 | Kinase Active Site Binding Assay: Compound binding to the ASK1 kinase active sit... | - |
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 3.3 | nM | 8.48 | Kinase Active Site Binding Assay: Compound binding to the ASK1 kinase active sit... | - |
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 3.3 | nM | 8.48 | Kinase Activity Inhibition Assay: Inhibition of ASK1 kinase activity was determi... | - |
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 5.4 | nM | 8.27 | Kinase Activity Inhibition Assay: Inhibition of ASK1 kinase activity was determi... | - |
Data from ChEMBL 36 via Core Engine