Compound Detail
CHEMBL49323
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Cc1ccc(F)cc1C(=O)N(CCCN(C)C)c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1
Basic Information
| ChEMBL ID | CHEMBL49323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYQIPKJQALHWKD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
5.14
ALogP
5
HBA
0
HBD
61.7
PSA (Ų)
0.34
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 290.0 | nM | 6.54 | 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 |
Data from ChEMBL 36 via Core Engine