Compound Detail
CHEMBL398813
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Basic Information
| ChEMBL ID | CHEMBL398813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJQHTFDOWXUHQW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.02
ALogP
5
HBA
0
HBD
41.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.14 | 7.14 | 73.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.99 | 6.99 | 102.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.73 | 6.73 | 185.0 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 5.77 | 5.77 | 1703.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 73.0 | nM | 7.14 | Displacement of [3H]Spiperone from human Dopamine receptor D2 isoform long expre... | 17576067 |
| D(3) dopamine receptor | Ki | = | 102.0 | nM | 6.99 | Displacement of [3H]spiperone from human Dopamine D3 receptor expressed in CHO c... | 17576067 |
| Unchecked | Ki | = | 185.0 | nM | 6.73 | Displacement of [3H]spiperone from human Dopamine D4.4 receptor expressed in CHO... | 17576067 |
| D(1B) dopamine receptor | Ki | = | 1703.0 | nM | 5.77 | Displacement of [3H]SCH 23390 from human Dopamine D5 receptor expressed in HEK29... | 17576067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17576067 | 10.1016/j.bmc.2007.06.002 | D(2) dopamine receptor | 4 |
| 17576067 | 10.1016/j.bmc.2007.06.002 | D(1B) dopamine receptor | 4 |
| 17576067 | 10.1016/j.bmc.2007.06.002 | D(3) dopamine receptor | 2 |
| 17576067 | 10.1016/j.bmc.2007.06.002 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine