Compound Detail
CHEMBL3667222
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Basic Information
| ChEMBL ID | CHEMBL3667222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCSRVODTOZIYRM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.73
ALogP
5
HBA
3
HBD
99.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek1 CHEMBL5855 | IC50 | 8.7 | 8.565 | 2.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.7 | 8.565 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek1 | IC50 | = | 2.0 | nM | 8.7 | Kinase Assay: PBK activity was determined in the presence or absence of compound... | - |
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Kinase Assay: PBK activity was determined in the presence or absence of compound... | - |
| Serine/threonine-protein kinase Nek1 | IC50 | = | 3.7 | nM | 8.43 | Kinase Assay: PBK activity was determined in the presence or absence of compound... | - |
| Unchecked | IC50 | = | 3.7 | nM | 8.43 | Kinase Assay: PBK activity was determined in the presence or absence of compound... | - |
Data from ChEMBL 36 via Core Engine