Compound Detail
CHEMBL97277
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
O=C(CN1CCCCC1)Nc1cc(CN2CCN(c3ccccc3)CC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
Basic Information
| ChEMBL ID | CHEMBL97277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZJKQRDXRIXPCK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
569.1
MW (Da)
6.38
ALogP
6
HBA
2
HBD
63.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5.5 | nM | 8.26 | Inhibitory activity against chloroquine-resistant Plasmodium falciparum FcB1R | 11495593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11495593 | 10.1021/jm010842o | MRC5 | 3 |
| 11495593 | 10.1021/jm010842o | ADMET | 3 |
| 11495593 | 10.1021/jm010842o | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine