Compound Detail
CHEMBL3099227
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Basic Information
| ChEMBL ID | CHEMBL3099227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNQAZTXVGQIQRN-SWYZXDRTSA-N |
| Parent Compound | CHEMBL3139043 |
| Active Moiety | CHEMBL3139043 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
1.75
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.96 | 8.96 | 1.1 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed a... | 24296012 |
| D(1A) dopamine receptor | EC50 | = | 330.0 | nM | 6.48 | Agonist activity at human recombinant dopamine D1 receptor expressed in CHO cell... | 24296012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24296012 | 10.1016/j.bmc.2013.11.012 | D(2) dopamine receptor | 2 |
| 24296012 | 10.1016/j.bmc.2013.11.012 | D(1A) dopamine receptor | 2 |
| 24296012 | 10.1016/j.bmc.2013.11.012 | Hepatocyte | 1 |
| 24296012 | 10.1016/j.bmc.2013.11.012 | Liver microsome | 1 |
| 24296012 | 10.1016/j.bmc.2013.11.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine