Compound Detail
CHEMBL478510
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Basic Information
| ChEMBL ID | CHEMBL478510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYNVFMBRBZMBCK-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
1
Known Names
Molecular Properties
388.5
MW (Da)
4.26
ALogP
3
HBA
2
HBD
73.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | Ki | = | 2100.0 | nM | 5.68 | Inhibition of human recombinant Pim1 expressed in insect cells by HTRF | 19179076 |
| PC-3 | IC50 | = | 10100.0 | nM | 5.0 | Antiproliferative activity against human PC3 cells assessed as reduction in cell... | 19179076 |
| LNCaP | IC50 | = | 10600.0 | nM | 4.97 | Antiproliferative activity against human LNCAP cells assessed as reduction in ce... | 19179076 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition Assay: Two-electrode voltage-clamp recordings were made from Xenopus ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19179076 | 10.1016/j.bmcl.2009.01.005 | Serine/threonine-protein kinase pim-1 | 4 |
| 19179076 | 10.1016/j.bmcl.2009.01.005 | PC-3 | 4 |
| 19179076 | 10.1016/j.bmcl.2009.01.005 | LNCaP | 4 |
Data from ChEMBL 36 via Core Engine