Compound Detail
CHEMBL1173327
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Basic Information
| ChEMBL ID | CHEMBL1173327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRXFPSNWVWAMBL-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
3.50
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 6.47 | 6.47 | 337.0 | 2 |
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 6.43 | 6.43 | 367.0 | 2 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.3 | 6.17 | 502.0 | 2 |
| Aromatase CHEMBL1978 | IC50 | 4.61 | 4.61 | 24560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 337.0 | nM | 6.47 | Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 ... | 20550118 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 337.0 | nM | 6.47 | Inhibition of human CYP17 expressed in Escherichia coli | 20684610 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 368.0 | nM | 6.43 | Inhibition of human CYP11B2 expressed in hamster V79MZh cells | 20550118 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 367.0 | nM | 6.43 | Inhibition of human CYP11B2 expressed in hamster fibroblast | 20684610 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 502.0 | nM | 6.3 | Inhibition of human CYP11B1 expressed in hamster V79MZh cells | 20550118 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 902.0 | nM | 6.04 | Inhibition of human CYP11B1 expressed in hamster fibroblast | 20684610 |
| Aromatase | IC50 | = | 24560.0 | nM | 4.61 | Inhibition of CYP19 in human placental microsomes | 20550118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20550118 | 10.1021/jm100400a | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 20550118 | 10.1021/jm100400a | Cytochrome P450 11B1, mitochondrial | 1 |
| 20550118 | 10.1021/jm100400a | Cytochrome P450 11B2, mitochondrial | 1 |
| 20550118 | 10.1021/jm100400a | Aromatase | 1 |
| 20550118 | 10.1021/jm100400a | Cytochrome P450 3A4 | 1 |
| 20684610 | 10.1021/jm100317b | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 20684610 | 10.1021/jm100317b | Cytochrome P450 11B1, mitochondrial | 1 |
| 20684610 | 10.1021/jm100317b | Cytochrome P450 11B2, mitochondrial | 1 |
| 20684610 | 10.1021/jm100317b | Aromatase | 1 |
| 20684610 | 10.1021/jm100317b | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine