Compound Detail
CHEMBL15136
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Basic Information
| ChEMBL ID | CHEMBL15136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGZPLWVASVRKAR-CZUORRHYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
3.62
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.27 | 9.27 | 0.5 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| D(2) dopamine receptor CHEMBL3998 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.32 | 8.32 | 4.7 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.54 | nM | 9.27 | In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cell... | 12086487 |
| D(1A) dopamine receptor | Ki | = | 1.1 | nM | 8.96 | Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390 | 12570379 |
| D(2) dopamine receptor | Ki | = | 3.0 | nM | 8.52 | Binding affinity of compound for Dopamine receptor D2 using [3H]N-0437 | 12570379 |
| D(3) dopamine receptor | Ki | = | 4.73 | nM | 8.32 | Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 ... | 19053758 |
| D(2) dopamine receptor | Ki | = | 14.0 | nM | 7.85 | In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cell... | 12086487 |
| D(2) dopamine receptor | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]Spiperone from rat dopamine D2L receptor expressed in HEK293... | 19053758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3599021 | 10.1021/jm00390a004 | Rattus norvegicus | 9 |
| 2120444 | 10.1021/jm00172a038 | Rattus norvegicus | 6 |
| 3656358 | 10.1021/jm00393a025 | Rattus norvegicus | 3 |
| 6431102 | 10.1021/jm00374a012 | Rattus norvegicus | 3 |
| 3761309 | 10.1021/jm00160a017 | Dopamine receptor | 2 |
| 3761309 | 10.1021/jm00160a017 | Rattus norvegicus | 2 |
| 12086487 | 10.1021/jm001015a | D(2) dopamine receptor | 1 |
| 12086487 | 10.1021/jm001015a | D(3) dopamine receptor | 1 |
| 12570379 | 10.1021/jm020990u | D(1A) dopamine receptor | 1 |
| 12570379 | 10.1021/jm020990u | D(2) dopamine receptor | 1 |
| 19053758 | 10.1021/jm8008629 | D(2) dopamine receptor | 1 |
| 19053758 | 10.1021/jm8008629 | D(3) dopamine receptor | 1 |
| 19053758 | 10.1021/jm8008629 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine