Compound Detail
CHEMBL169631
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Basic Information
| ChEMBL ID | CHEMBL169631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCPQHGBAGOWPLH-GOSISDBHSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
429.9
MW (Da)
3.58
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 4.55 | 4.485 | 28000.0 | 2 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 4.06 | 4.06 | 87000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 7000.0 | nM | 5.16 | Binding affinity towards human Dopamine receptor D4 by [3H]spiperone displacemen... | 10206547 |
| D(3) dopamine receptor | Ki | = | 11000.0 | nM | 4.96 | Binding affinity towards human dopamine D3 receptor by [3H]spiperone displacemen... | 10206547 |
| D(2) dopamine receptor | Ki | = | 28000.0 | nM | 4.55 | Binding affinity towards human Dopamine receptor D2 (short) by [3H]-spiperone di... | 10206547 |
| D(2) dopamine receptor | Ki | = | 38000.0 | nM | 4.42 | Binding affinity towards human Dopamine receptor D2 (long) by [3H]-spiperone dis... | 10206547 |
| D(1A) dopamine receptor | Ki | = | 87000.0 | nM | 4.06 | Binding affinity towards bovine dopamine D1 receptor by [3H]-SCH- 23390 displace... | 10206547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10206547 | 10.1016/s0960-894x(99)00086-4 | D(2) dopamine receptor | 2 |
| 10206547 | 10.1016/s0960-894x(99)00086-4 | D(1A) dopamine receptor | 1 |
| 10206547 | 10.1016/s0960-894x(99)00086-4 | D(3) dopamine receptor | 1 |
| 10206547 | 10.1016/s0960-894x(99)00086-4 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine