Compound Detail
CHEMBL177556
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
CN(CCc1cccnc1)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21
Basic Information
| ChEMBL ID | CHEMBL177556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRGAOOBYJCRZOE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
586.8
MW (Da)
7.72
ALogP
5
HBA
1
HBD
65.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Vasopressin V1 receptor CHEMBL2111456 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Vasopressin V1 receptor CHEMBL2095221 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 50.0 | nM | 7.3 | Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as ra... | 7241506 |
| Vasopressin V2 receptor | IC50 | = | 50.0 | nM | 7.3 | Inhibitory activity against human recombinant arginine vasopressin V2 receptor u... | 7241506 |
| Vasopressin V1 receptor | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as ra... | 7241506 |
| Vasopressin V1 receptor | IC50 | = | 3200.0 | nM | 5.5 | Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as ra... | 7241506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7241506 | 10.1021/jm00137a004 | Vasopressin V1 receptor | 2 |
| 7241506 | 10.1021/jm00137a004 | Vasopressin V2 receptor | 2 |
| 7241506 | 10.1021/jm00137a004 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine