Compound Detail
CHEMBL5897911
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Basic Information
| ChEMBL ID | CHEMBL5897911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVKPIWUWUZOHIR-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
2.09
ALogP
8
HBA
1
HBD
92.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.71
Ki 2 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | Ki | 9.85 | 9.85 | 0.1 | 2 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | IC50 | 8.71 | 8.71 | 1.9 | 1 |
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 | Ki | = | 0.14 | nM | 9.85 | HPK1 Biochemical Enzyme Assay: HPK1 enzyme inhibition was measured using a micro... | - |
| Mitogen-activated protein kinase kinase kinase kinase 1 | Ki | = | 0.14 | nM | 9.85 | Biochemical Selectivity Kinase Assay: PRKD2 (PKD2) and RPS6KA2 (RSK3) kinase ass... | - |
| Serine/threonine-protein kinase D2 | IC50 | = | 1.93 | nM | 8.71 | Biochemical Selectivity Kinase Assay: PRKD2 (PKD2) and RPS6KA2 (RSK3) kinase ass... | - |
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 6.26 | nM | 8.2 | Biochemical Selectivity Kinase Assay: PRKD2 (PKD2) and RPS6KA2 (RSK3) kinase ass... | - |
Data from ChEMBL 36 via Core Engine