Compound Detail
CHEMBL4781102
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Basic Information
| ChEMBL ID | CHEMBL4781102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXXUHIDVIKIKLD-INIZCTEOSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.8
MW (Da)
4.76
ALogP
4
HBA
1
HBD
71.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Haemonchus contortus CHEMBL613144 | IC50 | 5.28 | 4.98 | 5300.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.55 | hr | Homo sapiens |
| T1/2 | 0.3333 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Haemonchus contortus | IC50 | = | 5300.0 | nM | 5.28 | Anti-helmintic activity against third-stage Haemonchus contortus larvae assessed... | 32018095 |
| Haemonchus contortus | IC50 | = | 21000.0 | nM | 4.68 | Anti-helmintic activity against fourth stage of Haemonchus contortus larvae asse... | 32018095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32018095 | 10.1016/j.ejmech.2020.112100 | ADMET | 4 |
| 32018095 | 10.1016/j.ejmech.2020.112100 | Haemonchus contortus | 2 |
| 32018095 | 10.1016/j.ejmech.2020.112100 | MCF-10A | 2 |
| 32018095 | 10.1016/j.ejmech.2020.112100 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine