Compound Detail
CHEMBL77105
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
Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCCCCCC(=O)N2CCC(N3CCCCC3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL77105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWAIISKMGSSFIF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
628.8
MW (Da)
6.84
ALogP
6
HBA
1
HBD
95.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL2868 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Vasopressin V2 receptor CHEMBL3766 | Ki | 7.03 | 7.03 | 94.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 4.97 | nM | 8.3 | Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liv... | 11755361 |
| Vasopressin V2 receptor | Ki | = | 94.5 | nM | 7.03 | Evaluated for the binding affinity towards vasopressin (V2) receptor in rat kidn... | 11755361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11755361 | 10.1016/s0960-894x(01)00723-5 | Vasopressin V1a receptor | 1 |
| 11755361 | 10.1016/s0960-894x(01)00723-5 | Vasopressin V2 receptor | 1 |
| 11755361 | 10.1016/s0960-894x(01)00723-5 | Vasopressin receptor | 1 |
Data from ChEMBL 36 via Core Engine