Compound Detail
CHEMBL1437928
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Basic Information
| ChEMBL ID | CHEMBL1437928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCXVVAXZOUZPFA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
2.94
ALogP
5
HBA
0
HBD
73.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.58
EC50 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.98 | 6.98 | 105.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.58 | 4.58 | 26344.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.3 | 4.3 | 49600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 105.0 | nM | 6.98 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 26344.0 | nM | 4.58 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 49600.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
Data from ChEMBL 36 via Core Engine