Compound Detail
CHEMBL75412
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Basic Information
| ChEMBL ID | CHEMBL75412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRRDBQACGOYDLN-LUAWRHEFSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
258.8
MW (Da)
3.10
ALogP
5
HBA
0
HBD
34.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.0 | 5.0 | 9960.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.84 | 4.755 | 14354.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.41 | 4.41 | 38880.0 | 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 | = | 9960.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 14354.0 | nM | 4.84 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 21632.5 | nM | 4.67 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Unchecked | IC50 | = | 38880.0 | nM | 4.41 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00423-4 | NON-PROTEIN TARGET | 5 |
| - | 10.1016/0960-894X(96)00062-5 | Staphylococcus aureus | 2 |
| - | 10.1016/0960-894X(96)00062-5 | Enterococcus faecalis | 2 |
| - | 10.1016/0960-894X(96)00062-5 | Streptococcus pyogenes | 2 |
| - | 10.1016/0960-894X(96)00062-5 | Listeria monocytogenes | 2 |
| - | 10.1016/0960-894X(96)00423-4 | Candida albicans | 2 |
| - | 10.1016/0960-894X(96)00423-4 | Nakaseomyces glabratus | 2 |
| - | 10.1016/0960-894X(96)00423-4 | Candida tropicalis | 2 |
| - | 10.1016/0960-894X(96)00423-4 | Pichia kudriavzevii | 2 |
| - | 10.1016/0960-894X(96)00423-4 | Cryptococcus neoformans | 2 |
| 33951490 | 10.1016/j.bmcl.2021.128078 | Cryptococcus neoformans | 1 |
Data from ChEMBL 36 via Core Engine