Compound Detail
CHEMBL1649949
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Basic Information
| ChEMBL ID | CHEMBL1649949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPJNRJXWXMNHIA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.91
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Sodium- and chloride-dependent glycine transporter 1 CHEMBL4556 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| Sodium- and chloride-dependent glycine transporter 2 CHEMBL3195 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | IC50 | = | 200.0 | nM | 6.7 | Antagonist activity at human V1A receptor expressed in CHO cells assessed as inh... | 21885275 |
| Sodium- and chloride-dependent glycine transporter 1 | IC50 | = | 880.0 | nM | 6.06 | Inhibition of [3H]glycine uptake at GlyT1 in rat C6 cells | 21141920 |
| Sodium- and chloride-dependent glycine transporter 2 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells | 21141920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21141920 | 10.1021/jm101031u | Sodium- and chloride-dependent glycine transporter 1 | 1 |
| 21141920 | 10.1021/jm101031u | Sodium- and chloride-dependent glycine transporter 2 | 1 |
| 21141920 | 10.1021/jm101031u | Unchecked | 1 |
| 21885275 | 10.1016/j.bmcl.2011.08.038 | Vasopressin V1a receptor | 1 |
Data from ChEMBL 36 via Core Engine