Compound Detail
CHEMBL602671
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
Cc1cc(C(=O)N2CCCNc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL602671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVTJVQICSDHKDD-MHZLTWQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
548.8
MW (Da)
4.10
ALogP
5
HBA
2
HBD
71.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 6.2 | 6.2 | 633.0 | 1 |
| Oxytocin receptor CHEMBL2049 | Ki | 6.07 | 6.07 | 844.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 633.0 | nM | 6.2 | Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cel... | 20104850 |
| Oxytocin receptor | Ki | = | 844.0 | nM | 6.07 | Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cells | 20104850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20104850 | 10.1021/jm901084f | Vasopressin V2 receptor | 4 |
| 20104850 | 10.1021/jm901084f | Oxytocin receptor | 4 |
| 20104850 | 10.1021/jm901084f | Vasopressin V1a receptor | 3 |
Data from ChEMBL 36 via Core Engine