Compound Detail
CHEMBL3085826
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Basic Information
| ChEMBL ID | CHEMBL3085826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPWSJANDNDDRMB-CALCHBBNSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
4.34
ALogP
3
HBA
1
HBD
38.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.52
Ki 1 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.52 | 8.215 | 3.0 | 4 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.99 | 6.99 | 102.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 3.0 | nM | 8.52 | Partial agonist activity at human Gi/o-coupled D2R expressed in HEK293T cells as... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 3.236 | nM | 8.49 | Partial agonist activity at human Gi/o-coupled D2R expressed in HEK293T cells as... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 11.75 | nM | 7.93 | Partial agonist activity at D2L receptor (unknown origin) expressed in human HTL... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 12.0 | nM | 7.92 | Partial agonist activity at D2L receptor (unknown origin) expressed in human HTL... | 30964661 |
| D(2) dopamine receptor | Ki | = | 102.33 | nM | 6.99 | Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO... | 24138311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30964661 | 10.1021/acs.jmedchem.9b00508 | D(2) dopamine receptor | 7 |
| 24138311 | 10.1021/jm401318w | D(2) dopamine receptor | 3 |
| 30964661 | 10.1021/acs.jmedchem.9b00508 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine