Compound Detail
CHEMBL3098131
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Basic Information
| ChEMBL ID | CHEMBL3098131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GITRAKCASHJKNC-SWYZXDRTSA-N |
| Parent Compound | CHEMBL455497 |
| Active Moiety | CHEMBL455497 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
245.4
MW (Da)
2.98
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 9.77 | 9.77 | 0.2 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 0.17 | nM | 9.77 | Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed a... | 24296012 |
| D(1A) dopamine receptor | EC50 | = | 83.0 | nM | 7.08 | 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 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine