Compound Detail
CHEMBL1420319
LIMANTRAFIN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1420319 |
| Name | LIMANTRAFIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | WHIWGRCYMQLLAO-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
5
Known Names
3
Indications
Molecular Properties
242.3
MW (Da)
3.75
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Breast Neoplasms Neoplasms Precursor Cell Lymphoblastic Leukemia-Lymphoma
Activity Summary
EC50 4 meas. best 6.09
IC50 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.09 | 5.72 | 803.0 | 4 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 803.0 | nM | 6.09 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Plasmodium falciparum | IC50 | = | 970.0 | nM | 6.01 | Antimalarial activity against Plasmodium falciparum 3D7 incubated for 48 hrs fol... | 35239352 |
| Unchecked | EC50 | = | 1051.0 | nM | 5.98 | PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... | - |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Plasmodium falciparum recombinant GluPho measured for 20 to 30 min... | 35239352 |
| Unchecked | EC50 | = | 2755.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 5677.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 35239352 | 10.1021/acs.jmedchem.1c01577 | Unchecked | 1 |
| 35239352 | 10.1021/acs.jmedchem.1c01577 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine