Compound Detail
CHEMBL4288425
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Basic Information
| ChEMBL ID | CHEMBL4288425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGAWSUQYKWFRFK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.62
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.12 | 5.12 | 7560.0 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 7560.0 | nM | 5.12 | Inhibition of equine serum BuChE by Ellman's method | 36307033 |
| Giardia intestinalis | IC50 | = | 26000.0 | nM | 4.58 | Antiparasitic activity against Giardia lamblia WB trophozoites assessed as paras... | 29449910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29449910 | 10.1039/C7MD00434F | Giardia intestinalis | 2 |
| 29449910 | 10.1039/C7MD00434F | Trichomonas vaginalis | 1 |
| 29449910 | 10.1039/C7MD00434F | Entamoeba histolytica | 1 |
| 29449910 | 10.1039/C7MD00434F | Limosilactobacillus reuteri | 1 |
| 29449910 | 10.1039/C7MD00434F | Lactobacillus acidophilus | 1 |
| 29449910 | 10.1039/C7MD00434F | Lacticaseibacillus rhamnosus | 1 |
| 29449910 | 10.1039/C7MD00434F | Escherichia coli | 1 |
| 36307033 | 10.1016/j.bmcl.2022.129037 | Acetylcholinesterase | 1 |
| 36307033 | 10.1016/j.bmcl.2022.129037 | Cholinesterase | 1 |
| 36307033 | 10.1016/j.bmcl.2022.129037 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine