Compound Detail
CHEMBL169251
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 | CHEMBL169251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEHNFQNDEFTGRO-XFFZJAGNSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
2.62
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Aromatase CHEMBL3859 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL4430 | IC50 | 4.13 | 4.13 | 74000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 170.0 | nM | 6.77 | In vitro inhibitory activity against Cytochrome P450 19A1 using human placental ... | 8632407 |
| Aromatase | IC50 | = | 260.0 | nM | 6.58 | Inhibition of rat ovarian aromatase | 26301554 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 73000.0 | nM | 4.14 | Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrena... | 8632407 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 74000.0 | nM | 4.13 | In vitro inhibitory activity against Steroidgenic Cytochrome P450 17 alpha using... | 8632407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632407 | 10.1021/jm950377t | Aromatase | 2 |
| 8632407 | 10.1021/jm950377t | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 8632407 | 10.1021/jm950377t | Cytochrome P450 11B2, mitochondrial | 1 |
| 8632407 | 10.1021/jm950377t | Thromboxane-A synthase | 1 |
| 26301554 | 10.1016/j.ejmech.2015.08.010 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine