Compound Detail
CHEMBL1830281
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Basic Information
| ChEMBL ID | CHEMBL1830281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUKWQOGFFWSECY-PKNBQFBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
4.13
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.41 | 5.41 | 3887.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 3887.0 | nM | 5.41 | Inhibition of CYP3A4 in human liver microsomes | 37549850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21816519 | 10.1016/j.ejmech.2011.07.019 | Candida tropicalis | 2 |
| 21816519 | 10.1016/j.ejmech.2011.07.019 | Paracoccidioides brasiliensis | 2 |
| 21816519 | 10.1016/j.ejmech.2011.07.019 | Cryptococcus bacillisporus | 2 |
| 21816519 | 10.1016/j.ejmech.2011.07.019 | Candida albicans | 1 |
| 21816519 | 10.1016/j.ejmech.2011.07.019 | Candida parapsilosis | 1 |
| 21816519 | 10.1016/j.ejmech.2011.07.019 | MCF7 | 1 |
| 21816519 | 10.1016/j.ejmech.2011.07.019 | TK-10 | 1 |
| 21816519 | 10.1016/j.ejmech.2011.07.019 | UACC-62 | 1 |
| 21816519 | 10.1016/j.ejmech.2011.07.019 | HL-60 | 1 |
| 21816519 | 10.1016/j.ejmech.2011.07.019 | Jurkat | 1 |
| 37549850 | 10.1016/j.bmcl.2023.129435 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine