Compound Detail
CHEMBL3143227
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
CSCC[C@H](NC(=O)N[C@@H](Cc1cccc(O)c1)C(=O)O)C(=O)NC(C(=O)N/C=C1\C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1)[C@H](C)N(C)C(=O)[C@@H](N)Cc1cccc(O)c1
Basic Information
| ChEMBL ID | CHEMBL3143227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLINEOOFHRQODR-VLKOSGQLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
840.9
MW (Da)
-0.80
ALogP
14
HBA
10
HBD
307.7
PSA (Ų)
0.08
QED
3
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 65.0 | nM | 7.19 | Inhibitory activity against Translocase I | 11934590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11934590 | 10.1016/s0960-894x(02)00109-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine