Compound Detail
CHEMBL5174069
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Basic Information
| ChEMBL ID | CHEMBL5174069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYHIDLVPAGVHHF-OKILXGFUSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.13
ALogP
6
HBA
2
HBD
92.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 12.8 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 1.805 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.8 | nM | 8.42 | Inhibition of LPS/MDP-stimulated TNFalpha production in C57BL/6J mouse BMDM cell... | 35709396 |
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 4.2 | nM | 8.38 | Inhibition of human RIPK2 incubated for 120 mins in presence of [gamma33P]ATP by... | 35709396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35709396 | 10.1021/acs.jmedchem.2c00604 | Unchecked | 2 |
| 35709396 | 10.1021/acs.jmedchem.2c00604 | ADMET | 2 |
| 35709396 | 10.1021/acs.jmedchem.2c00604 | Receptor-interacting serine/threonine-protein kinase 2 | 1 |
| 35709396 | 10.1021/acs.jmedchem.2c00604 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
| 35709396 | 10.1021/acs.jmedchem.2c00604 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine