Compound Detail
CHEMBL259327
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Basic Information
| ChEMBL ID | CHEMBL259327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISAVYTVYFVQUDY-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
206.3
MW (Da)
4.11
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.08
Kd 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sex hormone-binding globulin CHEMBL3305 | Kd | 5.67 | 5.67 | 2138.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.08 | 4.9033 | 8369.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sex hormone-binding globulin | Kd | = | 2137.96 | nM | 5.67 | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding gl... | 18330978 |
| Unchecked | IC50 | = | 8369.9 | nM | 5.08 | PubChem BioAssay. GLP1 secretion from STC-1 cells-IC50. (Class of assay: confi... | - |
| Unchecked | IC50 | = | 9111.2 | nM | 5.04 | PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi... | - |
| Unchecked | IC50 | = | 25862.5 | nM | 4.59 | PubChem BioAssay. GLP1 secretion from NCI-H716 cells-IC50. (Class of assay: co... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18330978 | 10.1021/jm7011485 | Sex hormone-binding globulin | 1 |
| 20226658 | 10.1016/j.bmcl.2010.02.059 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine