Compound Detail
CHEMBL2115023
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Basic Information
| ChEMBL ID | CHEMBL2115023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHMTYLJMPBFCTD-GFCCVEGCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
388.2
MW (Da)
2.51
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.95 | 6.895 | 113.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 113.0 | nM | 6.95 | Inhibition of 0.1 nM of [125I]- (S)-N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-iodo-2-m... | 3172140 |
| D(2) dopamine receptor | IC50 | = | 145.0 | nM | 6.84 | Inhibition of [3H](S)-sulpiride binding in striatal homogenates of rat brain | 3172140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3172140 | 10.1021/jm00118a031 | Rattus norvegicus | 3 |
| 3172140 | 10.1021/jm00118a031 | Unchecked | 3 |
| 3172140 | 10.1021/jm00118a031 | D(2) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine