Compound Detail
CHEMBL1489071
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Basic Information
| ChEMBL ID | CHEMBL1489071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHKIAKVYCNVNHP-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.78
ALogP
3
HBA
1
HBD
28.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.61
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.61 | 5.61 | 2483.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.42 | 5.42 | 3786.6 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 4.82 | 4.82 | 15136.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2483.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 3786.6 | nM | 5.42 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 15136.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
Data from ChEMBL 36 via Core Engine