Compound Detail
CHEMBL5084426
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Basic Information
| ChEMBL ID | CHEMBL5084426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVOGVAVHOLLLAZ-UHFFFAOYSA-N |
6
Targets
21
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
4.35
ALogP
10
HBA
2
HBD
116.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 9.0
Kd 7 meas. best 8.68
Ki 2 meas. best 5.03
EC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitotic checkpoint serine/threonine-protein kinase BUB1 CHEMBL1772932 | IC50 | 9.0 | 7.777 | 1.0 | 10 |
| Mitotic checkpoint serine/threonine-protein kinase BUB1 CHEMBL1772932 | Kd | 8.68 | 8.6133 | 2.1 | 3 |
| Mitotic checkpoint serine/threonine-protein kinase BUB1 CHEMBL1772932 | EC50 | 8.21 | 8.21 | 6.1 | 1 |
| Serine/threonine-protein kinase 10 CHEMBL3981 | Kd | 7.24 | 7.24 | 57.0 | 2 |
| Sodium/nucleoside cotransporter 1 CHEMBL5551 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Serine/threonine-protein kinase MRCK gamma CHEMBL5615 | Kd | 6.07 | 6.07 | 850.0 | 1 |
| Epithelial discoidin domain-containing receptor 1 CHEMBL5319 | Kd | 5.64 | 5.64 | 2300.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.03 | 5.03 | 9332.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5058649 | Unchecked | 24 |
| - | 10.6019/CHEMBL5303304 | U2OS | 10 |
| - | 10.6019/CHEMBL5058649 | Mitotic checkpoint serine/threonine-protein kinase BUB1 | 8 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 8 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 6 |
| - | 10.6019/CHEMBL5058649 | Sodium-dependent dopamine transporter | 4 |
| - | 10.6019/CHEMBL5058649 | 5-hydroxytryptamine receptor 1A | 4 |
| - | 10.6019/CHEMBL5465560 | Mitotic checkpoint serine/threonine-protein kinase BUB1 | 4 |
| - | 10.6019/CHEMBL5058649 | Alpha-1D adrenergic receptor | 4 |
| - | 10.6019/CHEMBL5058649 | D(2) dopamine receptor | 3 |
| - | 10.6019/CHEMBL5058649 | 5-hydroxytryptamine receptor 7 | 3 |
| - | 10.6019/CHEMBL5058649 | Alpha-2C adrenergic receptor | 3 |
| - | 10.6019/CHEMBL5058649 | Voltage-dependent L-type calcium channel subunit alpha-1C | 3 |
| - | 10.6019/CHEMBL5058649 | Serine/threonine-protein kinase MRCK gamma | 2 |
| - | 10.6019/CHEMBL5058649 | Glycogen synthase kinase-3 alpha | 2 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 2 |
| - | 10.6019/CHEMBL5058649 | Serine/threonine-protein kinase 10 | 2 |
| - | 10.6019/CHEMBL5058649 | Histamine H1 receptor | 2 |
| - | 10.6019/CHEMBL5058649 | D(1A) dopamine receptor | 2 |
| - | 10.6019/CHEMBL5058649 | Ribosomal protein S6 kinase alpha-3 | 2 |
Data from ChEMBL 36 via Core Engine