Compound Detail
CHEMBL3585368
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CCCN(CCCNC(=O)CCC(=O)NCCCN(CCC)CCc1cccc2c1CC(=O)N2)CCc1cccc2c1CC(=O)N2
Basic Information
| ChEMBL ID | CHEMBL3585368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUQMUSUDBYIFKM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
632.9
MW (Da)
3.68
ALogP
6
HBA
4
HBD
122.9
PSA (Ų)
0.16
QED
1
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 7.55 | 7.55 | 28.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 28.18 | nM | 7.55 | Agonist activity at human dopamine D2L receptor expressed in CHO cell membranes ... | - |
| D(2) dopamine receptor | EC50 | = | 28.0 | nM | 7.55 | 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