Compound Detail
CHEMBL4868942
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Basic Information
| ChEMBL ID | CHEMBL4868942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZVGLCHOAKBVGW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
392.2
MW (Da)
2.79
ALogP
6
HBA
1
HBD
78.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cryptosporidium parvum CHEMBL612855 | EC50 | 6.26 | 6.26 | 550.0 | 1 |
| Cryptosporidium hominis CHEMBL613353 | EC50 | 6.25 | 6.25 | 560.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | hr | Homo sapiens |
| T1/2 | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cryptosporidium parvum | EC50 | = | 550.0 | nM | 6.26 | Anti-cryptosporidial activity against Cryptosporidium parvum infected in HCT-8 c... | 34342443 |
| Cryptosporidium hominis | EC50 | = | 560.0 | nM | 6.25 | Anti-cryptosporidial activity against Cryptosporidium hominis infected in HCT-8 ... | 34342443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34342443 | 10.1021/acs.jmedchem.1c01136 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 4 |
| 34342443 | 10.1021/acs.jmedchem.1c01136 | ADMET | 3 |
| 34342443 | 10.1021/acs.jmedchem.1c01136 | Cryptosporidium parvum | 2 |
| 37148788 | 10.1016/j.bmc.2023.117295 | No relevant target | 2 |
| 34342443 | 10.1021/acs.jmedchem.1c01136 | No relevant target | 1 |
| 34342443 | 10.1021/acs.jmedchem.1c01136 | Cryptosporidium hominis | 1 |
| 34342443 | 10.1021/acs.jmedchem.1c01136 | HCT-8 | 1 |
Data from ChEMBL 36 via Core Engine