Compound Detail
CHEMBL1917895
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Basic Information
| ChEMBL ID | CHEMBL1917895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSPQKOGSXGQGTP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
4.94
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 6.81 | 6.79 | 156.0 | 2 |
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 6.03 | 6.03 | 926.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 156.0 | nM | 6.81 | Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate b... | 21972996 |
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 171.0 | nM | 6.77 | Inhibition of 17beta-HSD2 in human MDA-MB-231 cells after 3.5 hrs by HPLC analys... | 21972996 |
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 926.0 | nM | 6.03 | Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by... | 21972996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21972996 | 10.1021/jm2008453 | 17-beta-hydroxysteroid dehydrogenase type 2 | 3 |
| 21972996 | 10.1021/jm2008453 | 17-beta-hydroxysteroid dehydrogenase type 1 | 2 |
| 21972996 | 10.1021/jm2008453 | Estrogen receptor | 1 |
| 21972996 | 10.1021/jm2008453 | Unchecked | 1 |
| 21972996 | 10.1021/jm2008453 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine