Compound Detail
CHEMBL3359491
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Basic Information
| ChEMBL ID | CHEMBL3359491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNWCDWLPKREOOK-HNALGXGESA-N |
| Parent Compound | CHEMBL3545909 |
| Active Moiety | CHEMBL3545909 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.18
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.43 | 5.33 | 3700.0 | 3 |
| Acetylcholinesterase CHEMBL3198 | IC50 | 5.32 | 5.32 | 4740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 3700.0 | nM | 5.43 | Antileishmanial activity against Leishmania donovani promastigotes assessed as p... | 36944273 |
| Leishmania donovani | IC50 | = | 4400.0 | nM | 5.36 | Antileishmanial activity against Leishmania donovani amastigotes infected in hum... | 36944273 |
| Acetylcholinesterase | IC50 | = | 4740.0 | nM | 5.32 | Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate p... | 25468034 |
| Leishmania donovani | IC50 | = | 6300.0 | nM | 5.2 | Antileishmanial activity against Leishmania donovani amastigotes infected in hum... | 36944273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36944273 | 10.1016/j.ejmech.2023.115256 | Leishmania donovani | 5 |
| 25468034 | 10.1016/j.bmc.2014.11.004 | Acetylcholinesterase | 1 |
| 36944273 | 10.1016/j.ejmech.2023.115256 | THP-1 | 1 |
| 36944273 | 10.1016/j.ejmech.2023.115256 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine