Compound Detail
CHEMBL3900120
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Basic Information
| ChEMBL ID | CHEMBL3900120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROAMWIZUESYNFI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
405.9
MW (Da)
4.49
ALogP
3
HBA
1
HBD
62.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | EC50 | 7.9 | 7.9 | 12.7 | 2 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | EC50 | 6.51 | 6.51 | 306.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | EC50 | = | 12.7 | nM | 7.9 | G402-Based Assay: Herein we identified the use of the G-402 cell line as a host ... | - |
| Cytochrome P450 11B2, mitochondrial | EC50 | = | 12.7 | nM | 7.9 | G402-Based Assay: Herein we identified the use of the G-402 cell line as a host ... | - |
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 306.6 | nM | 6.51 | G402-Based Assay: Herein we identified the use of the G-402 cell line as a host ... | - |
Data from ChEMBL 36 via Core Engine