Compound Detail
CHEMBL3585366
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CCCN(CCCNC(=O)OC(C)(C)C)CCc1cccc2c1CC(=O)N2CCCNC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL3585366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRCAJERBDVJCKJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
4.66
ALogP
6
HBA
2
HBD
100.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 5.85 | 5.845 | 1413.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 1413.0 | nM | 5.85 | Agonist activity at human dopamine D2L receptor expressed in CHO cell membranes ... | - |
| D(2) dopamine receptor | EC50 | = | 1445.44 | nM | 5.84 | Agonist activity at human dopamine D2L receptor expressed in CHO cell membranes ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00066H | D(2) dopamine receptor | 3 |
Data from ChEMBL 36 via Core Engine