Compound Detail
CHEMBL567967
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
Basic Information
| ChEMBL ID | CHEMBL567967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXFLHMJSSLDOPA-UHFFFAOYSA-N |
7
Targets
12
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
2.51
ALogP
2
HBA
0
HBD
43.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.06
EC50 3 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.06 | 5.74 | 870.0 | 3 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.05 | 6.05 | 889.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.57 | 5.57 | 2667.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.2 | 4.61 | 6360.0 | 2 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 4.99 | 4.99 | 10259.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.9 | 4.67 | 12707.0 | 2 |
| H4 CHEMBL1075452 | EC50 | 4.7 | 4.7 | 20024.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28011425 | 10.1016/j.ejmech.2016.12.029 | Indoleamine 2,3-dioxygenase 1 | 4 |
| 20014857 | 10.1021/jm901300d | Unchecked | 2 |
| 20014857 | 10.1021/jm901300d | Plasmodium falciparum | 1 |
| 20014857 | 10.1021/jm901300d | MCF7 | 1 |
| 28011425 | 10.1016/j.ejmech.2016.12.029 | Unchecked | 1 |
| 28011425 | 10.1016/j.ejmech.2016.12.029 | LLTC cell line | 1 |
Data from ChEMBL 36 via Core Engine