Compound Detail
CHEMBL1428883
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Basic Information
| ChEMBL ID | CHEMBL1428883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBUZYMOWHHJSEM-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
3.24
ALogP
6
HBA
1
HBD
87.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.03 | 4.7675 | 9330.0 | 4 |
| Exodeoxyribonuclease V CHEMBL2095232 | IC50 | 4.05 | 4.05 | 89926.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9330.0 | nM | 5.03 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 17602.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Absorbance-based bacterial cell-based high throughput dose res... | - |
| Unchecked | IC50 | = | 22045.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial... | - |
| Unchecked | IC50 | = | 23480.0 | nM | 4.63 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Exodeoxyribonuclease V | IC50 | = | 89926.0 | nM | 4.05 | PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial... | - |
Data from ChEMBL 36 via Core Engine