Compound Detail
CHEMBL122536
METHIOTHEPINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL122536 |
| Name | METHIOTHEPINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTASPUXNIKGFBD-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
2.70
ALogP
2
HBA
1
HBD
26.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.7
IC50 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.1995 | nM | 9.7 | pKi value for Dopamine receptor D2 binding site | 9748351 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 0.3981 | nM | 9.4 | pKi value for 5-hydroxytryptamine 2 receptor binding site | 9748351 |
| D(1A) dopamine receptor | Ki | = | 1.995 | nM | 8.7 | pKi value for Dopamine receptor D1 binding site | 9748351 |
| 5-hydroxytryptamine receptor 7 | IC50 | = | 2.2 | nM | 8.66 | Antagonist activity at human 5HT7 receptor expressed in HEK293 assessed as inhib... | 23279866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9748351 | 10.1021/jm9706832 | Unchecked | 2 |
| 9748351 | 10.1021/jm9706832 | D(1A) dopamine receptor | 1 |
| 9748351 | 10.1021/jm9706832 | D(2) dopamine receptor | 1 |
| 9748351 | 10.1021/jm9706832 | Serotonin 2 (5-HT2) receptor | 1 |
| 9748351 | 10.1021/jm9706832 | Dopamine D1 and D2 receptor | 1 |
| 23279866 | 10.1016/j.ejmech.2012.11.042 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine