Compound Detail
CHEMBL405519
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Basic Information
| ChEMBL ID | CHEMBL405519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZPDHOOVQQYBJP-TZMCWYRMSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
2.69
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 9.19 | 9.04 | 0.7 | 2 |
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 8.48 | 8.04 | 3.3 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 0.65 | nM | 9.19 | Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed a... | 18313303 |
| D(2) dopamine receptor | EC50 | = | 1.3 | nM | 8.89 | Dopamine D2 Receptor Agonism: Dopamine D2 receptor agonism was measured using a ... | - |
| D(1A) dopamine receptor | EC50 | = | 3.3 | nM | 8.48 | Dopamine D1 Receptor Agonism: Dopamine D1 receptor agonism was measured using a ... | - |
| D(1A) dopamine receptor | EC50 | = | 25.0 | nM | 7.6 | Agonist activity at human recombinant dopamine D1 receptor expressed in CHO cell... | 18313303 |
| Unchecked | EC50 | = | 2900.0 | nM | 5.54 | 5-HT2B Agonist Activity Assay: Evaluation of the agonist activity of compounds (... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18313303 | 10.1016/j.bmc.2007.06.036 | Rattus norvegicus | 9 |
| 18313303 | 10.1016/j.bmc.2007.06.036 | D(1A) dopamine receptor | 2 |
| 18313303 | 10.1016/j.bmc.2007.06.036 | D(2) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine