Compound Detail
CHEMBL4441645
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4441645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDRVSODDJIUMRK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.8
MW (Da)
4.06
ALogP
7
HBA
0
HBD
73.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BHK-21 CHEMBL614527 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| NCI-H157 CHEMBL614783 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 5.54 | 5.54 | 2860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BHK-21 | IC50 | = | 1010.0 | nM | 6.0 | Cytotoxicity against BHK21 cells assessed as reduction in cell viability after 4... | 31404864 |
| NCI-H157 | IC50 | = | 1010.0 | nM | 6.0 | Cytotoxicity against human NCI-H157 cells assessed as reduction in cell viabilit... | 31404864 |
| Leishmania major | IC50 | = | 2860.0 | nM | 5.54 | Antileishmanial activity against promastigote form of Leishmania major assessed ... | 32668302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31404864 | 10.1016/j.ejmech.2019.111587 | BHK-21 | 1 |
| 31404864 | 10.1016/j.ejmech.2019.111587 | NCI-H157 | 1 |
| 32668302 | 10.1016/j.ejmech.2020.112514 | Leishmania major | 1 |
Data from ChEMBL 36 via Core Engine