Compound Detail
CHEMBL3667217
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Basic Information
| ChEMBL ID | CHEMBL3667217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOLQOFVUCLAHOY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.62
ALogP
4
HBA
3
HBD
79.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek1 CHEMBL5855 | IC50 | 8.96 | 8.94 | 1.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.96 | 8.94 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek1 | IC50 | = | 1.1 | nM | 8.96 | Kinase Assay: PBK activity was determined in the presence or absence of compound... | - |
| Unchecked | IC50 | = | 1.1 | nM | 8.96 | Kinase Assay: PBK activity was determined in the presence or absence of compound... | - |
| Serine/threonine-protein kinase Nek1 | IC50 | = | 1.2 | nM | 8.92 | Kinase Assay: PBK activity was determined in the presence or absence of compound... | - |
| Unchecked | IC50 | = | 1.2 | nM | 8.92 | Kinase Assay: PBK activity was determined in the presence or absence of compound... | - |
Data from ChEMBL 36 via Core Engine