Compound Detail
CHEMBL411053
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C[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Basic Information
| ChEMBL ID | CHEMBL411053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTTDRBNUMLADAX-OIMFUDJCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.5
MW (Da)
4.21
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sex hormone-binding globulin CHEMBL3305 | Kd | 9.38 | 9.38 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sex hormone-binding globulin | Kd | = | 0.4169 | nM | 9.38 | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding gl... | 18330978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18330978 | 10.1021/jm7011485 | Sex hormone-binding globulin | 1 |
Data from ChEMBL 36 via Core Engine