Compound Detail
CHEMBL4800455
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Basic Information
| ChEMBL ID | CHEMBL4800455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRHWOMYNTQAFNO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
391.3
MW (Da)
4.15
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.52 | 8.17 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.3 | nM | 9.52 | Inhibition of Haemonchus contortus by L4 development assay | 33352050 |
| Unchecked | IC50 | = | 150.0 | nM | 6.82 | Toxicity in rat FAO cells assessed as reduction in cellular respiration incubate... | 33352050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33352050 | 10.1021/acs.jmedchem.0c01793 | Unchecked | 4 |
| 33352050 | 10.1021/acs.jmedchem.0c01793 | ADMET | 2 |
| 33352050 | 10.1021/acs.jmedchem.0c01793 | MCF-10A | 1 |
Data from ChEMBL 36 via Core Engine