Compound Detail
CHEMBL1480798
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Basic Information
| ChEMBL ID | CHEMBL1480798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIPWTAARRLBXFR-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.67
ALogP
6
HBA
3
HBD
78.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.42
EC50 2 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.81 | 5.81 | 1560.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.42 | 5.2267 | 3850.0 | 3 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.17 | 5.17 | 6732.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.31 | 4.31 | 48604.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1560.0 | nM | 5.81 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | IC50 | = | 3850.0 | nM | 5.42 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Unchecked | IC50 | = | 6260.0 | nM | 5.2 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 6732.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Unchecked | IC50 | = | 8680.0 | nM | 5.06 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 48604.0 | nM | 4.31 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
Data from ChEMBL 36 via Core Engine