Compound Detail
CHEMBL1773164
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
Cc1cc(NCCN2CCCCC2)c2ccc3c(ccc4c(NCCN5CCCCC5)cc(C)nc43)c2n1.Cl
Basic Information
| ChEMBL ID | CHEMBL1773164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMIQMMYGRJSKCU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789808 |
| Active Moiety | CHEMBL1789808 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
6.35
ALogP
6
HBA
2
HBD
56.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.26 | 8.1 | 5.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5.5 | nM | 8.26 | Antimalarial activity against Plasmodium falciparum W2 | 21265542 |
| Plasmodium falciparum | IC50 | = | 8.79 | nM | 8.06 | Antimalarial activity against Plasmodium falciparum D6 | 21265542 |
| Plasmodium falciparum | IC50 | = | 10.55 | nM | 7.98 | Antimalarial activity against Plasmodium falciparum C235 | 21265542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21265542 | 10.1021/jm100938u | Plasmodium falciparum | 8 |
| 21265542 | 10.1021/jm100938u | Botulinum neurotoxin type A | 1 |
Data from ChEMBL 36 via Core Engine