Compound Detail
CHEMBL121458
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Basic Information
| ChEMBL ID | CHEMBL121458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLLMJANWPUQQTA-UBDQQSCGSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
3.53
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
Kd 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sex hormone-binding globulin CHEMBL3305 | Kd | 8.62 | 8.62 | 2.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 2850000000.0 | M-1 | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sex hormone-binding globulin | Kd | = | 2.399 | nM | 8.62 | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding gl... | 18330978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19772289 | 10.1021/jm900921c | 3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7 | 2 |
| 9357533 | 10.1021/jm9703294 | Estrogen receptor | 1 |
| 9357533 | 10.1021/jm9703294 | MCF7 | 1 |
| 17110114 | 10.1016/j.bmc.2006.10.055 | 17-beta-hydroxysteroid dehydrogenase type 1 | 1 |
| 18330978 | 10.1021/jm7011485 | Sex hormone-binding globulin | 1 |
Data from ChEMBL 36 via Core Engine