Compound Detail
CHEMBL4865588
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
CC(C)(C)NCc1cc(Cl)cc(Nc2nc3cc(F)c(F)cc3n2Cc2ccc(C(F)(F)F)cc2)c1O
Basic Information
| ChEMBL ID | CHEMBL4865588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPTYENPGFGSRRA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
539.0
MW (Da)
7.37
ALogP
5
HBA
3
HBD
62.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.05 | 6.6433 | 90.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 90.0 | nM | 7.05 | Antimalarial activity against asexual blood stage multi drug-resistant Plasmodiu... | 33844521 |
| Plasmodium falciparum | IC50 | = | 190.0 | nM | 6.72 | Antimalarial activity against asexual blood stage drug-sensitive Plasmodium falc... | 33844521 |
| Plasmodium falciparum | IC50 | = | 690.0 | nM | 6.16 | Antiplasmodial activity against asexual stage (I/III) Plasmodium falciparum NF54... | 33844521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33844521 | 10.1021/acs.jmedchem.1c00354 | Plasmodium falciparum | 7 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | ADMET | 4 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | Unchecked | 1 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | CHO | 1 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | No relevant target | 1 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine