Compound Detail
CHEMBL5209283
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Basic Information
| ChEMBL ID | CHEMBL5209283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEIPMDKQHMZMTE-UHFFFAOYSA-N |
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
3.00
ALogP
8
HBA
1
HBD
74.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.37
Ki 2 meas. best 6.94
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.94 | 6.94 | 114.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 6.37 | 5.51 | 426.6 | 2 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.18 | 6.18 | 660.7 | 1 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 5.22 | 5.22 | 6025.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 114.82 | nM | 6.94 | Displacement of [3H]-8-OH-DAPT from human 5-HT1A receptor expressed in CHO-K1 ce... | 35248836 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 426.58 | nM | 6.37 | Agonist activity at human 5-HT1A receptor expressed in CHO-K1 cells assessed as ... | 35248836 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 660.69 | nM | 6.18 | Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in CHO-K1 cells me... | 35248836 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 6025.6 | nM | 5.22 | Inhibition of PDE10A (unknown origin) preincubated for 20 mins followed by subst... | 35248836 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 22387.21 | nM | 4.65 | Agonist activity at human 5-HT1A receptor expressed in U2OS cells assessed as be... | 35248836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35248836 | 10.1016/j.ejmech.2022.114218 | 5-hydroxytryptamine receptor 1A | 7 |
| 35248836 | 10.1016/j.ejmech.2022.114218 | Mus musculus | 3 |
| 35248836 | 10.1016/j.ejmech.2022.114218 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 2 |
| 35248836 | 10.1016/j.ejmech.2022.114218 | 5-hydroxytryptamine receptor 7 | 1 |
| 35248836 | 10.1016/j.ejmech.2022.114218 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine