Compound Detail
CHEMBL155568
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL155568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTZAFBOWFLZDGB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
6.86
ALogP
4
HBA
2
HBD
88.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 5-alpha-reductase CHEMBL2096664 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 5-alpha-reductase | IC50 | = | 155.0 | nM | 6.81 | In vitro inhibitory activity against rat testosterone 5 alpha reductase was dete... | 9871560 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | IC50 | = | 310.0 | nM | 6.51 | In vitro inhibitory activity against human Steroid 5-alpha-reductase type 1 in C... | 9871560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871560 | 10.1016/s0960-894x(98)00001-8 | Steroid 5-alpha-reductase | 1 |
| 9871560 | 10.1016/s0960-894x(98)00001-8 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 9871560 | 10.1016/s0960-894x(98)00001-8 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine