Compound Detail
CHEMBL3668004
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Basic Information
| ChEMBL ID | CHEMBL3668004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHSRIJBDPIVOLC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.0
MW (Da)
3.54
ALogP
6
HBA
1
HBD
92.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 80.0 | nM | 7.1 | FLIPR Calcium Assay: Antagonizing effect of compounds for human GnRHR1 was evalu... | - |
Data from ChEMBL 36 via Core Engine