Compound Detail
CHEMBL1714415
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Basic Information
| ChEMBL ID | CHEMBL1714415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXMBBLQZGMHXSZ-BENRWUELSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
288.8
MW (Da)
3.11
ALogP
6
HBA
0
HBD
43.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.36 | 5.36 | 4350.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase | IC50 | = | 4350.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase ... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 15400.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 21000.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine