Compound Detail
CHEMBL5433031
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Basic Information
| ChEMBL ID | CHEMBL5433031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMOKJBOFSXHJTR-FNCQTZNRSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
2.81
ALogP
6
HBA
1
HBD
88.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.47 | 6.125 | 340.0 | 2 |
| Leishmania major CHEMBL612879 | IC50 | 5.65 | 5.65 | 2220.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.52 | 5.52 | 3040.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.64 | 4.64 | 22870.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.48 | 4.48 | 33120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 340.0 | nM | 6.47 | Antileishmanial activity against Leishmania donovani MHOM/IN/95/9515 amastigote ... | 37859713 |
| Leishmania donovani | IC50 | = | 1660.0 | nM | 5.78 | Antileishmanial activity against Leishmania donovani MHOM/IN/95/9515 promastigot... | 37859713 |
| Leishmania major | IC50 | = | 2220.0 | nM | 5.65 | Antileishmanial activity against Leishmania major IR-173 promastigotes assessed ... | 37859713 |
| Trypanosoma cruzi | IC50 | = | 3040.0 | nM | 5.52 | Antitrypanosomal activity against bloodstream Trypanosoma cruzi trypomastigotes ... | 37859713 |
| THP-1 | IC50 | = | 22870.0 | nM | 4.64 | Cytotoxicity against human THP-1 cells assessed as inhibition of cell growth inc... | 37859713 |
| Vero | IC50 | = | 33120.0 | nM | 4.48 | Cytotoxicity against African green monkey Vero cells assessed as inhibition of c... | 37859713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37859713 | 10.1039/d3md00220a | ADMET | 6 |
| 37859713 | 10.1039/d3md00220a | Leishmania major | 2 |
| 37859713 | 10.1039/d3md00220a | Leishmania donovani | 2 |
| 37859713 | 10.1039/d3md00220a | Trypanosoma cruzi | 2 |
| 37859713 | 10.1039/d3md00220a | Vero | 1 |
| 37859713 | 10.1039/d3md00220a | THP-1 | 1 |
| 37859713 | 10.1039/d3md00220a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine