Compound Detail
CHEMBL5191892
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Basic Information
| ChEMBL ID | CHEMBL5191892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFVXISWLYSJERX-INIZCTEOSA-N |
5
Targets
7
Activities
3
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.10
ALogP
8
HBA
2
HBD
102.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.9
IC50 2 meas. best 7.82
Kd 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17A CHEMBL4525 | Kd | 8.05 | 8.05 | 9.0 | 1 |
| Serine/threonine-protein kinase 17A CHEMBL4525 | IC50 | 7.82 | 7.49 | 15.0 | 2 |
| D-247MG CHEMBL2366237 | EC50 | 5.9 | 5.9 | 1250.0 | 1 |
| LN-18 CHEMBL4296458 | EC50 | 5.71 | 5.71 | 1970.0 | 1 |
| LN-229 CHEMBL4296459 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
| T98G CHEMBL614775 | EC50 | 5.63 | 5.63 | 2340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17A | Kd | = | 9.0 | nM | 8.05 | Binding affinity to human N-terminal His-tagged/ TEV cleavage fused DRAK1 (39 to... | 35608370 |
| Serine/threonine-protein kinase 17A | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human N-terminal His-tagged/ TEV cleavage fused DRAK1 (39 to 369 r... | 35608370 |
| Serine/threonine-protein kinase 17A | IC50 | = | 70.0 | nM | 7.16 | Inhibition of human N-terminal His-tagged/ TEV cleavage fused DRAK1 (39 to 369 r... | 35608370 |
| D-247MG | EC50 | = | 1250.0 | nM | 5.9 | Antiproliferative activity against human D-247MG cells assessed as reduction in ... | 35608370 |
| LN-18 | EC50 | = | 1970.0 | nM | 5.71 | Antiproliferative activity against human LN-18 cells assessed as reduction in ce... | 35608370 |
| LN-229 | EC50 | = | 2200.0 | nM | 5.66 | Antiproliferative activity against human LN-229 cells assessed as reduction in c... | 35608370 |
| T98G | EC50 | = | 2340.0 | nM | 5.63 | Antiproliferative activity against human T98G cells assessed as reduction in cel... | 35608370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35608370 | 10.1021/acs.jmedchem.2c00173 | Serine/threonine-protein kinase 17A | 7 |
| 35608370 | 10.1021/acs.jmedchem.2c00173 | HEK-293T | 7 |
| 35608370 | 10.1021/acs.jmedchem.2c00173 | Unchecked | 6 |
| 35608370 | 10.1021/acs.jmedchem.2c00173 | U2OS | 5 |
| 35608370 | 10.1021/acs.jmedchem.2c00173 | D-247MG | 2 |
| 35608370 | 10.1021/acs.jmedchem.2c00173 | LN-229 | 2 |
| 35608370 | 10.1021/acs.jmedchem.2c00173 | LN-18 | 2 |
| 35608370 | 10.1021/acs.jmedchem.2c00173 | T98G | 2 |
| 35608370 | 10.1021/acs.jmedchem.2c00173 | Casein kinase II subunit alpha | 1 |
| 35608370 | 10.1021/acs.jmedchem.2c00173 | Serine/threonine-protein kinase 17B | 1 |
Data from ChEMBL 36 via Core Engine