Compound Detail
CHEMBL1915646
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Basic Information
| ChEMBL ID | CHEMBL1915646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOPGQICEKPAAOV-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
376.9
MW (Da)
4.93
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.68
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Bcl2-associated agonist of cell death CHEMBL3817 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
| MDA-MB-231 CHEMBL400 | EC50 | 5.67 | 5.67 | 2120.0 | 1 |
| PC-3 CHEMBL390 | EC50 | 5.62 | 5.62 | 2420.0 | 1 |
| K562 CHEMBL385 | EC50 | 5.61 | 5.61 | 2470.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | EC50 | 5.53 | 5.53 | 2960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometr... | 21982499 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometr... | 21982499 |
| Bcl2-associated agonist of cell death | EC50 | = | 210.0 | nM | 6.68 | Inhibition of BAD phosphorylation at Ser112 in human MV-4-11 cells assessed as p... | 21982499 |
| MDA-MB-231 | EC50 | = | 2120.0 | nM | 5.67 | Antiproliferative activity against human MDA-MB-231 cells assessed as cell viabi... | 21982499 |
| PC-3 | EC50 | = | 2420.0 | nM | 5.62 | Antiproliferative activity against human PC3 cells assessed as cell viability af... | 21982499 |
| K562 | EC50 | = | 2470.0 | nM | 5.61 | Antiproliferative activity against human K562 cells assessed as cell viability a... | 21982499 |
| MIA PaCa-2 | EC50 | = | 2960.0 | nM | 5.53 | Antiproliferative activity against human MIAPaCa2 cells assessed as cell viabili... | 21982499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21982499 | 10.1016/j.bmcl.2011.09.059 | Serine/threonine-protein kinase pim-1 | 1 |
| 21982499 | 10.1016/j.bmcl.2011.09.059 | Serine/threonine-protein kinase pim-2 | 1 |
| 21982499 | 10.1016/j.bmcl.2011.09.059 | Unchecked | 1 |
| 21982499 | 10.1016/j.bmcl.2011.09.059 | Bcl2-associated agonist of cell death | 1 |
| 21982499 | 10.1016/j.bmcl.2011.09.059 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 21982499 | 10.1016/j.bmcl.2011.09.059 | MV4-11 | 1 |
| 21982499 | 10.1016/j.bmcl.2011.09.059 | K562 | 1 |
| 21982499 | 10.1016/j.bmcl.2011.09.059 | PC-3 | 1 |
| 21982499 | 10.1016/j.bmcl.2011.09.059 | MDA-MB-231 | 1 |
| 21982499 | 10.1016/j.bmcl.2011.09.059 | MIA PaCa-2 | 1 |
Data from ChEMBL 36 via Core Engine