Compound Detail
CHEMBL2314734
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 | CHEMBL2314734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLRJJXPRWYHFGP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.00
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue factor CHEMBL4081 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue factor | IC50 | = | 63.06 | nM | 7.2 | Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 c... | 23199480 |
| D(2) dopamine receptor | IC50 | = | 420.0 | nM | 6.38 | Antagonist activity at D2 receptor (unknown origin) expressed in CHOK1 cells ass... | 30981605 |
| D(1A) dopamine receptor | IC50 | = | 1080.0 | nM | 5.97 | Antagonist activity at D1 receptor (unknown origin) expressed in CHOK1 cells ass... | 30981605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30981605 | 10.1016/j.bmc.2019.04.014 | D(1A) dopamine receptor | 2 |
| 30981605 | 10.1016/j.bmc.2019.04.014 | D(2) dopamine receptor | 2 |
| 23199480 | 10.1016/j.bmc.2012.11.002 | Tissue factor | 1 |
Data from ChEMBL 36 via Core Engine