Compound Detail
CHEMBL4800400
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Basic Information
| ChEMBL ID | CHEMBL4800400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMDBCRAEPYAOLG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.9
MW (Da)
4.55
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MRC5 CHEMBL614181 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.17 | 5.17 | 6700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.1 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MRC5 | EC50 | = | 6000.0 | nM | 5.22 | Antiproliferative activity against human MRC5 cells assessed as reduction in cel... | 27631715 |
| Plasmodium falciparum | EC50 | = | 6700.0 | nM | 5.17 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 27631715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27631715 | 10.1021/acs.jmedchem.6b00723 | Plasmodium falciparum | 1 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | MRC5 | 1 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | ADMET | 1 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine