Compound Detail
CHEMBL1774683
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
Cl.O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1c1ccc(N2CCNCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL1774683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEYOWKBGMDPXJI-LHFNXRCHSA-N |
| Parent Compound | CHEMBL1789338 |
| Active Moiety | CHEMBL1789338 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
3.20
ALogP
6
HBA
2
HBD
90.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7000.0 | nM | 5.16 | Antiplasmodial activity against chloroquine-susceptible Plasmodium falciparum GH... | 21504142 |
| MRC5 | IC50 | = | 8000.0 | nM | 5.1 | Cytotoxicity against human MRC5 SV2 cells after 72 hrs | 21504142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21504142 | 10.1021/jm1014617 | Plasmodium falciparum | 1 |
| 21504142 | 10.1021/jm1014617 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine