Compound Detail
CHEMBL1684551
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O=C(Cn1c(-c2c[nH]c3ccccc23)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1
Basic Information
| ChEMBL ID | CHEMBL1684551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYVWOXVNPNIQLN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
3.17
ALogP
7
HBA
2
HBD
101.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1b receptor CHEMBL1921 | IC50 | 6.41 | 6.41 | 387.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1b receptor | IC50 | = | 387.0 | nM | 6.41 | Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expres... | 21353540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353540 | 10.1016/j.bmcl.2010.12.081 | Vasopressin V1b receptor | 1 |
Data from ChEMBL 36 via Core Engine