Compound Detail
CHEMBL285355
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL285355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWCOPJQNWPEWQP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
234.4
MW (Da)
2.99
ALogP
2
HBA
1
HBD
19.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.9
Kd 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 6.21 | 6.21 | 616.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 616.6 | nM | 6.21 | The ability to inhibit the 5-HT-induced contraction of isolated rat fundus muscl... | 6815326 |
| Unchecked | IC50 | = | 12500.0 | nM | 4.9 | Ability to displace [3H]LSD binding to Lysergic acid diethylamide receptor site ... | 7120280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7120280 | 10.1021/jm00350a005 | Rattus norvegicus | 12 |
| 7120280 | 10.1021/jm00350a005 | Unchecked | 3 |
| 7120280 | 10.1021/jm00350a005 | Serotonin (5-HT) receptor | 2 |
| 6815326 | 10.1021/jm00353a021 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine