Compound Detail
CHEMBL1917887
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Basic Information
| ChEMBL ID | CHEMBL1917887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLLWMOKEJRLJDN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
5.59
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 6.58 | 6.58 | 261.0 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 6.04 | 6.04 | 919.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 261.0 | nM | 6.58 | Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate b... | 21972996 |
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 919.0 | nM | 6.04 | 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 1 | 2 |
| 21972996 | 10.1021/jm2008453 | 17-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 21972996 | 10.1021/jm2008453 | Estrogen receptor beta | 1 |
| 21972996 | 10.1021/jm2008453 | Estrogen receptor | 1 |
| 21972996 | 10.1021/jm2008453 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine