Compound Detail
CHEMBL129660
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 | CHEMBL129660 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIVCRRVYLAXYFC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
1.21
ALogP
2
HBA
2
HBD
48.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 8.31 | 7.7167 | 4.9 | 3 |
| Histamine H3 receptor CHEMBL264 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.67 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 4.9 | nM | 8.31 | Binding affinity to histamine H4 receptor (unknown origin) assessed as inhibitio... | 36731273 |
| Histamine H4 receptor | Ki | = | 38.0 | nM | 7.42 | Displacement of [3H]- histamine from the recombinant human histamine H4 receptor | 12954048 |
| Histamine H4 receptor | Ki | = | 38.0 | nM | 7.42 | Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK... | 16366610 |
| Histamine H3 receptor | Ki | = | 9000.0 | nM | 5.05 | Binding affinity to histamine H3 receptor | 16366610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954048 | 10.1021/jm0341047 | Histamine H4 receptor | 1 |
| 16366610 | 10.1021/jm0502081 | Histamine H4 receptor | 1 |
| 16366610 | 10.1021/jm0502081 | Histamine H3 receptor | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 36731273 | 10.1016/j.ejmech.2023.115151 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine