Compound Detail
CHEMBL5567330
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Basic Information
| ChEMBL ID | CHEMBL5567330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDNZQQUMVZIGGM-XAYIRVKOSA-N |
| Parent Compound | CHEMBL6070285 |
| Active Moiety | CHEMBL6070285 |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
2.60
ALogP
5
HBA
0
HBD
32.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.25
Ki 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.25 | 6.25 | 561.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.02 | 6.02 | 955.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.26 | 5.26 | 5495.4 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 4.36 | 4.36 | 43651.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 561.0 | nM | 6.25 | Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate incubated for ... | 38648167 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 954.99 | nM | 6.02 | Displacement of [3H]-LSD from 5-HT2C receptor (unknown origin) expressed in HEK2... | 38648167 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 962.0 | nM | 6.02 | Displacement of [3H]-LSD from 5-HT2C receptor (unknown origin) expressed in HEK2... | 38648167 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 5495.41 | nM | 5.26 | Antagonist activity at recombinant human 5-HT2C expressed in CHO-K1 cells assess... | 38648167 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 5530.0 | nM | 5.26 | Antagonist activity at recombinant human 5-HT2C expressed in CHO-K1 cells assess... | 38648167 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 43651.58 | nM | 4.36 | Antagonist activity at recombinant human 5-HT2A expressed in CHO-K1 cells assess... | 38648167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38648167 | 10.1021/acs.jmedchem.3c01696 | 5-hydroxytryptamine receptor 2A | 5 |
| 38648167 | 10.1021/acs.jmedchem.3c01696 | 5-hydroxytryptamine receptor 2C | 5 |
| 38648167 | 10.1021/acs.jmedchem.3c01696 | Cortical neurone | 2 |
| 38648167 | 10.1021/acs.jmedchem.3c01696 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 38648167 | 10.1021/acs.jmedchem.3c01696 | Microtubule-associated protein tau | 1 |
Data from ChEMBL 36 via Core Engine