Compound Detail
CHEMBL5665388
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Basic Information
| ChEMBL ID | CHEMBL5665388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGVOAWIBXANWKY-UHFFFAOYSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.85
ALogP
5
HBA
0
HBD
36.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.7
Kd 2 meas.
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X2 CHEMBL5849 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X2 | EC50 | = | 3000.0 | nM | 5.52 | Agonist activity at MRGPRX2 (unknown origin) expressed in HTLA cells assessed as... | 28288109 |
| Tyrosine-protein kinase BTK | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of BTK (unknown origin) by Kinome scan method | 28288109 |
| Mitogen-activated protein kinase 8 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of JNK1 (unknown origin) by Kinome scan method | 28288109 |
| Mitogen-activated protein kinase 10 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of JNK3 (unknown origin) by Kinome scan method | 28288109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28288109 | 10.1038/nchembio.2334 | Mas-related G-protein coupled receptor member X2 | 5 |
| 28288109 | 10.1038/nchembio.2334 | Tyrosine-protein kinase BTK | 2 |
| 28288109 | 10.1038/nchembio.2334 | Mitogen-activated protein kinase 8 | 2 |
| 28288109 | 10.1038/nchembio.2334 | Mitogen-activated protein kinase 10 | 2 |
Data from ChEMBL 36 via Core Engine