Compound Detail
CHEMBL4097020
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Basic Information
| ChEMBL ID | CHEMBL4097020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICRQWLLPESJOOB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
2.86
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human CYP11B2 expressed in HEK293A cells using deoxycorticosterone... | 28359792 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human CYP11B2 expressed in HEK293-A cells harboring FDXR/FDX using... | 38851000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| 28359792 | 10.1016/j.bmcl.2017.03.034 | Cytochrome P450 11B2, mitochondrial | 1 |
| 28359792 | 10.1016/j.bmcl.2017.03.034 | Cytochrome P450 3A4 | 1 |
| 38851000 | 10.1016/j.bmc.2024.117775 | Cytochrome P450 11B2, mitochondrial | 1 |
| 38851000 | 10.1016/j.bmc.2024.117775 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine