Compound Detail
CHEMBL1334528
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Basic Information
| ChEMBL ID | CHEMBL1334528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USRWSSVQAGNWRI-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
207.3
MW (Da)
1.77
ALogP
4
HBA
2
HBD
50.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.92 | 5.8467 | 1190.0 | 3 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.4 | 4.4 | 39470.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.3 | 4.3 | 50100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 1190.0 | nM | 5.92 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 1220.0 | nM | 5.91 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 1950.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
| Leucine aminopeptidase | IC50 | = | 39470.0 | nM | 4.4 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 50100.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9508-x | Mus musculus | 18 |
| 33756127 | 10.1016/j.ejmech.2021.113326 | DCN1-like protein 1 | 2 |
| 34365131 | 10.1016/j.ejmech.2021.113744 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine