Compound Detail
CHEMBL5289179
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Basic Information
| ChEMBL ID | CHEMBL5289179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNVNAHXMFSTSGC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5315629 |
| Active Moiety | CHEMBL5315629 |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
3.08
ALogP
8
HBA
2
HBD
95.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| DU-145 CHEMBL613508 | IC50 | 5.9 | 5.9 | 1255.0 | 1 |
| CWR22R CHEMBL612657 | IC50 | 5.59 | 5.59 | 2562.0 | 1 |
| RWPE-1 CHEMBL4296492 | IC50 | 4.6 | 4.6 | 25020.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 16.0 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 1.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 | IC50 | = | 0.6 | nM | 9.22 | Inhibition of hexa His-tagged DYRK2 (72 to 479 residues) (unknown origin) expres... | 36800260 |
| DU-145 | IC50 | = | 1255.0 | nM | 5.9 | Antiproliferative activity against human DU-145 cells assessed as inhibition of ... | 36800260 |
| CWR22R | IC50 | = | 2562.0 | nM | 5.59 | Antiproliferative activity against human 22Rv1 cells assessed as inhibition of c... | 36800260 |
| RWPE-1 | IC50 | = | 25020.0 | nM | 4.6 | Cytotoxicity against human RWPE-1 cells assessed as inhibition of cell prolifera... | 36800260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36800260 | 10.1021/acs.jmedchem.3c00106 | DU-145 | 30 |
| 36800260 | 10.1021/acs.jmedchem.3c00106 | CWR22R | 21 |
| 36800260 | 10.1021/acs.jmedchem.3c00106 | ADMET | 15 |
| 36800260 | 10.1021/acs.jmedchem.3c00106 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 3 |
| 36800260 | 10.1021/acs.jmedchem.3c00106 | RWPE-1 | 1 |
| 36800260 | 10.1021/acs.jmedchem.3c00106 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine