Compound Detail
CHEMBL290545
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Basic Information
| ChEMBL ID | CHEMBL290545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCTQEHDMZKCPPK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.48
ALogP
5
HBA
2
HBD
37.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 6.16 | 6.0533 | 695.0 | 3 |
| Stromelysin-1 CHEMBL283 | IC50 | 4.33 | 4.33 | 47000.0 | 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 | = | 695.0 | nM | 6.16 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 835.0 | nM | 6.08 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 1200.0 | nM | 5.92 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
| Stromelysin-1 | IC50 | = | 47000.0 | nM | 4.33 | Inhibitory concentration against Matrix metalloprotease-3 | 10229623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10229623 | 10.1021/jm9803222 | Stromelysin-1 | 1 |
Data from ChEMBL 36 via Core Engine