Compound Detail
CHEMBL1623498
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 | CHEMBL1623498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLIBCJURSADKPV-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
2.19
ALogP
4
HBA
2
HBD
66.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.1
IC50 2 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.23 | 5.215 | 5900.0 | 2 |
| C-C chemokine receptor type 8 CHEMBL4596 | EC50 | 4.1 | 4.085 | 79432.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 5900.0 | nM | 5.23 | Binding affinity to Zn(II) after 2 hrs using FluoZin-3 by fuorescence assay | 22957890 |
| No relevant target | IC50 | = | 6309.57 | nM | 5.2 | Binding affinity to Zn(II) after 2 hrs using FluoZin-3 by fuorescence assay | 22957890 |
| C-C chemokine receptor type 8 | EC50 | = | 79432.82 | nM | 4.1 | Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP... | 22957890 |
| C-C chemokine receptor type 8 | EC50 | = | 86000.0 | nM | 4.07 | Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP... | 22957890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22957890 | 10.1021/jm301121j | C-C chemokine receptor type 8 | 4 |
| 22957890 | 10.1021/jm301121j | C-C chemokine receptor type 5 | 4 |
| 22957890 | 10.1021/jm301121j | C-C chemokine receptor type 1 | 4 |
| 22957890 | 10.1021/jm301121j | No relevant target | 2 |
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine