Compound Detail
CHEMBL495892
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
CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccc(OCC)cc3)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL495892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXYAUZSZXRTBLD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
4.04
ALogP
7
HBA
2
HBD
102.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 2.84 | nM | 8.55 | Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inh... | 18448340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18448340 | 10.1016/j.bmcl.2008.04.022 | Cannabinoid receptor 1 | 1 |
| 18448340 | 10.1016/j.bmcl.2008.04.022 | No relevant target | 1 |
| 18448340 | 10.1016/j.bmcl.2008.04.022 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine