Compound Detail
CHEMBL5188518
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
N#Cc1cccc(COc2cc(Oc3cc(=O)oc4c3ccc3ccccc34)c(CN3CC(C(=O)O)C3)cc2Cl)c1
Basic Information
| ChEMBL ID | CHEMBL5188518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAMMGAIXRMIXAK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
567.0
MW (Da)
6.36
ALogP
7
HBA
1
HBD
113.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.34 | 5.34 | 4516.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4516.0 | nM | 5.34 | Inhibition of Tag1-PD1/Tag2-PD2 interaction pre mixed with anti-Tagl-Eu 3 and an... | 34954618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34954618 | 10.1016/j.bmc.2021.116579 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine