Compound Detail
CHEMBL4442292
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Basic Information
| ChEMBL ID | CHEMBL4442292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORPGHKGCVVGSIW-UHFFFAOYSA-N |
1
Targets
26
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
1.62
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 26 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 4Z1 CHEMBL4523375 | IC50 | 5.77 | 5.08 | 1700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 4Z1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced w... | 32302132 |
| Cytochrome P450 4Z1 | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced w... | 32302132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Unchecked | 26 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 4F3 | 8 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 4A11 | 4 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 4F2 | 4 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 4F12 | 4 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 4F8 | 4 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 4Z1 | 3 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 1A2 | 3 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 2B6 | 3 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 2C8 | 3 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 2C9 | 3 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 2C19 | 3 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 2D6 | 3 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 3A4/3A5 | 3 |
Data from ChEMBL 36 via Core Engine