Compound Detail
CHEMBL1084541
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
Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
Basic Information
| ChEMBL ID | CHEMBL1084541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSCCTZZBYHQMQJ-AZAGJHQNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
535.8
MW (Da)
9.75
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | IC50 | = | 98000.0 | nM | 4.01 | Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrat... | 20426472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20426472 | 10.1021/jm100254w | No relevant target | 4 |
| 20426472 | 10.1021/jm100254w | Cruzipain | 2 |
Data from ChEMBL 36 via Core Engine