Compound Detail
CHEMBL514855
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 | CHEMBL514855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRRVBLIPLMHHGR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.39
ALogP
6
HBA
1
HBD
78.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.02 | 7.02 | 95.2 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.34 | 6.34 | 457.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 95.2 | nM | 7.02 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippo... | 18598015 |
| Unchecked | Ki | = | 457.0 | nM | 6.34 | Displacement of [3H]prazosin from adrenergic receptor alpha1 in CRL:CD(SD)BR-COB... | 18598015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18598015 | 10.1021/jm800176x | Unchecked | 2 |
| 18598015 | 10.1021/jm800176x | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine