Compound Detail
CHEMBL4787015
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Basic Information
| ChEMBL ID | CHEMBL4787015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NACGCTXGFWWNAP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
3.99
ALogP
4
HBA
1
HBD
65.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.0 | mL.min-1.g-1 | Mus musculus |
| CL | 0.6 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 2.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 7.0 | nM | 8.15 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 27631715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27631715 | 10.1021/acs.jmedchem.6b00723 | ADMET | 4 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | Plasmodium falciparum | 1 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | No relevant target | 1 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine