Compound Detail
CHEMBL131155
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 | CHEMBL131155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDENPNCRFIDJLK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.63
ALogP
3
HBA
0
HBD
42.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.47
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL4701 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
| Platelet-activating factor receptor CHEMBL250 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 1600.0 | nM | 5.8 | Binding affinity to histamine H1 receptor in rat brain membranes was evaluated u... | 1671420 |
| Platelet-activating factor receptor | IC50 | = | 3400.0 | nM | 5.47 | Concentration required to cause 50% inhibition of platelet activating factor (PA... | 1671420 |
| Protein farnesyltransferase | IC50 | = | 56000.0 | nM | 4.25 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1671420 | 10.1021/jm00105a069 | Platelet-activating factor receptor | 2 |
| 1671420 | 10.1021/jm00105a069 | Histamine H1 receptor | 1 |
| 9406600 | 10.1021/jm970291v | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine