Compound Detail
CHEMBL536820
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
c1ccc2[nH]c(-c3ccc(N4CCN(c5ccc(-c6nc7ccccc7[nH]6)cc5)CC4)cc3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL536820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZHWOCZYIQOFJG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
6.10
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.39 | 6.39 | 410.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 410.0 | nM | 6.39 | Antileishmanial activity against Leishmania donovani promastigotes assessed as p... | 33992928 |
| Leishmania donovani | IC50 | = | 410.0 | nM | 6.39 | Antiprotozoal activity against Leishmania donovani promastigote measured after 7... | 28886510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20185316 | 10.1016/j.bmc.2010.01.068 | NON-PROTEIN TARGET | 1 |
| 33992928 | 10.1016/j.ejmech.2021.113516 | Leishmania donovani | 1 |
| 28886510 | 10.1016/j.ejmech.2017.08.014 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine