Compound Detail
CHEMBL1474782
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Basic Information
| ChEMBL ID | CHEMBL1474782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUIDVSZQRVQJAJ-XBXARRHUSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
0.88
ALogP
6
HBA
1
HBD
107.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.91
IC50 2 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.91 | 6.62 | 123.0 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 4.74 | 4.74 | 18277.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.73 | 4.73 | 18557.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 123.0 | nM | 6.91 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Confirmation at Dose of ... | - |
| Unchecked | EC50 | = | 469.0 | nM | 6.33 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| No relevant target | IC50 | = | 18277.0 | nM | 4.74 | PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... | - |
| Unchecked | IC50 | = | 18557.0 | nM | 4.73 | PubChem BioAssay. Absorbance-based bacterial cell-based high throughput dose res... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20889239 | 10.1016/j.ejmech.2010.09.034 | Triosephosphate isomerase, glycosomal | 2 |
| 20889239 | 10.1016/j.ejmech.2010.09.034 | Trypanosoma cruzi | 1 |
| 20889239 | 10.1016/j.ejmech.2010.09.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine