Compound Detail
CHEMBL4163163
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 | CHEMBL4163163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRNHHFWDOCWYNH-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
649.0
MW (Da)
4.84
ALogP
5
HBA
3
HBD
96.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.75
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Leishmania infantum CHEMBL612848 | EC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3000.0 | nM | 5.52 | Antiplasmodial activity against drug-sensitive blood stage Plasmodium falciparum... | 29297684 |
| Leishmania amazonensis | EC50 | = | 18000.0 | nM | 4.75 | Antileishmanial activity against Leishmania amazonensis MHOM/BR/1973/M2269 proma... | 29297684 |
| Leishmania infantum | EC50 | = | 23000.0 | nM | 4.64 | Antileishmanial activity against Leishmania infantum MHOM/BR/1972/LD promastigot... | 29297684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29297684 | 10.1021/acs.jnatprod.7b00876 | Leishmania amazonensis | 6 |
| 29297684 | 10.1021/acs.jnatprod.7b00876 | Leishmania infantum | 1 |
| 29297684 | 10.1021/acs.jnatprod.7b00876 | Trypanosoma cruzi | 1 |
| 29297684 | 10.1021/acs.jnatprod.7b00876 | Plasmodium falciparum | 1 |
| 29297684 | 10.1021/acs.jnatprod.7b00876 | HepG2 | 1 |
| 29297684 | 10.1021/acs.jnatprod.7b00876 | Unchecked | 1 |
| 29297684 | 10.1021/acs.jnatprod.7b00876 | BMDM | 1 |
Data from ChEMBL 36 via Core Engine