Compound Detail
CHEMBL3104525
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Basic Information
| ChEMBL ID | CHEMBL3104525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJFZYAQGMWSUID-JOCHJYFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
459.9
MW (Da)
5.23
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation o... | 24304150 |
| L6 | IC50 | = | 47000.0 | nM | 4.33 | Cytotoxicity against rat L6 cells after 72 hrs by Alamar Blue assay | 24304150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24304150 | 10.1021/jm401610c | No relevant target | 3 |
| 24304150 | 10.1021/jm401610c | Cytochrome P450 3A4 | 1 |
| 24304150 | 10.1021/jm401610c | L6 | 1 |
| 24304150 | 10.1021/jm401610c | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine