Compound Detail
CHEMBL3672246
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Basic Information
| ChEMBL ID | CHEMBL3672246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEPLJQBGZPLEGV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
4.27
ALogP
4
HBA
3
HBD
79.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek1 CHEMBL5855 | IC50 | 9.04 | 9.04 | 0.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.04 | 9.04 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek1 | IC50 | = | 0.92 | nM | 9.04 | Kinase Assay: PBK activity was determined in the presence or absence of compound... | - |
| Unchecked | IC50 | = | 0.92 | nM | 9.04 | Kinase Assay: PBK activity was determined in the presence or absence of compound... | - |
Data from ChEMBL 36 via Core Engine