Compound Detail
CHEMBL1467585
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Basic Information
| ChEMBL ID | CHEMBL1467585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEWHJCLOUYPAOH-PFEQFJNWSA-N |
| Parent Compound | CHEMBL24077 |
| Active Moiety | CHEMBL24077 |
4
Targets
5
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.38
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.5
Ki 2 meas. best 6.82
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenylate cyclase CHEMBL2095179 | EC50 | 7.5 | 7.5 | 32.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 7.25 | 7.25 | 56.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.82 | 6.225 | 151.0 | 2 |
| Dopamine receptor CHEMBL2093868 | IC50 | 4.47 | 4.47 | 33860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenylate cyclase | EC50 | = | 32.0 | nM | 7.5 | Tested for ability to stimulate dopamine sensitive adenylate cyclase in rat caud... | 6980283 |
| D(1A) dopamine receptor | EC50 | = | 56.0 | nM | 7.25 | Agonist activity at human dopamine D1 receptor expressed in HEK293 cells assesse... | 21862338 |
| Unchecked | Ki | = | 151.0 | nM | 6.82 | Displacement of [3H]SCH23390 from dopamine D1-like receptor in pig striatal tiss... | 21862338 |
| Unchecked | Ki | = | 2364.0 | nM | 5.63 | Displacement of [3H]-N-methylspiperone from dopamine D2-like receptor in pig str... | 21862338 |
| Dopamine receptor | IC50 | = | 33860.0 | nM | 4.47 | Tested for Dopamine receptor activity by the inhibition against spiroperidol bin... | 6980283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6980283 | 10.1021/jm00348a017 | Rattus norvegicus | 2 |
| 6980283 | 10.1021/jm00348a017 | Canis familiaris | 2 |
| 21862338 | 10.1016/j.bmc.2011.07.057 | Unchecked | 2 |
| 21862338 | 10.1016/j.bmc.2011.07.057 | D(1A) dopamine receptor | 2 |
| 6980283 | 10.1021/jm00348a017 | Adenylate cyclase | 1 |
| 6980283 | 10.1021/jm00348a017 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine