Compound Detail
CHEMBL3758943
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 | CHEMBL3758943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLFMJICBMMNLIX-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
377.6
MW (Da)
5.62
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.59
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.15 | 7.3467 | 7.0 | 3 |
| HepG2 CHEMBL395 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
| Leishmania tropica CHEMBL612881 | IC50 | 5.63 | 5.63 | 2350.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7.0 | nM | 8.15 | Antimalarial activity against chloroquine-susceptible Plasmodium falciparum D6 a... | 26640981 |
| Plasmodium falciparum | IC50 | = | 102.0 | nM | 6.99 | Antimalarial activity against mutidrug resistant Plasmodium falciparum TM91C235 ... | 26640981 |
| Plasmodium falciparum | IC50 | = | 126.0 | nM | 6.9 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 aft... | 26640981 |
| HepG2 | IC50 | = | 1590.0 | nM | 5.8 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 26640981 |
| Leishmania tropica | IC50 | = | 2350.0 | nM | 5.63 | Antileishmanial activity against Leishmania tropica MHOM/IT/2012/ISS3130 promast... | 30034591 |
| Leishmania infantum | IC50 | = | 2400.0 | nM | 5.62 | Antileishmanial activity against Leishmania infantum MHOM/TN/80/IPT1 promastigot... | 30034591 |
| THP-1 | IC50 | = | 4900.0 | nM | 5.31 | Cytotoxicity against PMA-differentiated human THP1 cells after 72 hrs by MTT ass... | 30034591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26640981 | 10.1021/acs.jmedchem.5b01374 | Plasmodium falciparum | 3 |
| 30034591 | 10.1021/acsmedchemlett.8b00053 | Unchecked | 2 |
| 26640981 | 10.1021/acs.jmedchem.5b01374 | HepG2 | 1 |
| 26640981 | 10.1021/acs.jmedchem.5b01374 | Unchecked | 1 |
| 29385334 | 10.1021/acs.jmedchem.7b01710 | Botulinum neurotoxin type A | 1 |
| 30034591 | 10.1021/acsmedchemlett.8b00053 | Leishmania tropica | 1 |
| 30034591 | 10.1021/acsmedchemlett.8b00053 | Leishmania infantum | 1 |
| 30034591 | 10.1021/acsmedchemlett.8b00053 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine