Compound Detail
CHEMBL60143
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
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL60143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALQYYBXQKWSMNS-HHHXNRCGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
535.7
MW (Da)
4.33
ALogP
6
HBA
1
HBD
88.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.26 | 5.26 | 5495.4 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 3.981 | nM | 8.4 | Binding affinity towards Histamine H3 receptor of rat cortical membranes. | 12113836 |
| Histamine H1 receptor | Ki | = | 5495.41 | nM | 5.26 | Binding affinity towards Histamine H1 receptor of human membranes. | 12113836 |
| Histamine H2 receptor | Ki | = | 10000.0 | nM | 5.0 | Binding affinity towards Histamine H2 receptor from human membranes | 12113836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12113836 | 10.1016/s0960-894x(02)00310-4 | Histamine H3 receptor | 1 |
| 12113836 | 10.1016/s0960-894x(02)00310-4 | Histamine H1 receptor | 1 |
| 12113836 | 10.1016/s0960-894x(02)00310-4 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine