Compound Detail
CHEMBL538374
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
CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1CC2CCC(C1)[N+]2(C)C)OC.O
Basic Information
| ChEMBL ID | CHEMBL538374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKZHQKYIIISVAI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2219606 |
| Active Moiety | CHEMBL2219606 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
575.8
MW (Da)
7.55
ALogP
6
HBA
0
HBD
77.0
PSA (Ų)
0.06
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | EC50 | 5.77 | 5.77 | 1690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | EC50 | = | 1690.0 | nM | 5.77 | Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 promastigote... | 17908944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17908944 | 10.1128/aac.00465-07 | Leishmania donovani | 2 |
Data from ChEMBL 36 via Core Engine