Compound Detail
CHEMBL296619
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O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(-c2ccccn2)ccc1Cl
Basic Information
| ChEMBL ID | CHEMBL296619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFCXLGBRMCWKLH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
520.0
MW (Da)
6.06
ALogP
5
HBA
1
HBD
80.1
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL2868 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | IC50 | = | 260.0 | nM | 6.58 | Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor | 10406633 |
| Vasopressin V2 receptor | IC50 | = | 480.0 | nM | 6.32 | Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor | 10406633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10406633 | 10.1016/s0960-894x(99)00279-6 | Vasopressin V1a receptor | 1 |
| 10406633 | 10.1016/s0960-894x(99)00279-6 | Vasopressin V2 receptor | 1 |
| 10406633 | 10.1016/s0960-894x(99)00279-6 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine