Compound Detail
CHEMBL3716813
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Basic Information
| ChEMBL ID | CHEMBL3716813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLWQRRGIZDDKQR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
5.09
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.75
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Relaxin receptor 1 CHEMBL1293316 | EC50 | 5.28 | 5.28 | 5290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Relaxin receptor 1 | EC50 | = | 5290.0 | nM | 5.28 | Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase i... | 30006176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30006176 | 10.1016/j.ejmech.2018.06.008 | Relaxin receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine