Compound Detail
CHEMBL88837
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Basic Information
| ChEMBL ID | CHEMBL88837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNBOBGDGUIWKPE-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
2.89
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.01 | 7.49 | 9.7 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.59 | 6.59 | 257.5 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.06 | 6.06 | 870.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 9.7 | nM | 8.01 | Affinity for Dopamine receptor D2 in rat striatal membranes for high agonist sta... | 9873601 |
| D(4) dopamine receptor | Ki | = | 47.0 | nM | 7.33 | Affinity towards human Dopamine receptor D4.4 expressed in CHO cells using [3H]s... | 9873601 |
| D(2) dopamine receptor | Ki | = | 107.0 | nM | 6.97 | Affinity of compound for the Dopamine receptor D2 in rat striatal membranes was ... | 9873601 |
| D(2) dopamine receptor | Ki | = | 257.5 | nM | 6.59 | Affinity towards human Dopamine receptor D2 expressed in CHO cells using [3H]spi... | 9873601 |
| D(3) dopamine receptor | Ki | = | 870.5 | nM | 6.06 | Affinity towards human Dopamine receptor D3 expressed in CHO cells using [3H]spi... | 9873601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873601 | 10.1016/s0960-894x(98)00474-0 | D(2) dopamine receptor | 4 |
| 9873601 | 10.1016/s0960-894x(98)00474-0 | D(3) dopamine receptor | 1 |
| 9873601 | 10.1016/s0960-894x(98)00474-0 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine