Compound Detail
CHEMBL4435658
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Basic Information
| ChEMBL ID | CHEMBL4435658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJNYIAIVHVKNLU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.96
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 4Z1 CHEMBL4523375 | IC50 | 6.52 | 5.83 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 4Z1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced w... | 32302132 |
| Cytochrome P450 4Z1 | IC50 | = | 7200.0 | nM | 5.14 | 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 | Cytochrome P450 4Z1 | 3 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 4A11 | 1 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 4F12 | 1 |
| 32302132 | 10.1021/acs.jmedchem.0c00101 | Cytochrome P450 4F8 | 1 |
Data from ChEMBL 36 via Core Engine