Compound Detail
CHEMBL1628668
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 | CHEMBL1628668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVYASSBBADJRAS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
6.54
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C5a anaphylatoxin chemotactic receptor 1 CHEMBL2373 | IC50 | 8.7 | 8.61 | 2.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 70.0 | % | Rattus norvegicus |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C5a anaphylatoxin chemotactic receptor 1 | IC50 | = | 2.0 | nM | 8.7 | Antagonist activity at C5aR1 in human neutrophils assessed as inhibition of 0.1 ... | 28977749 |
| C5a anaphylatoxin chemotactic receptor 1 | IC50 | = | 3.0 | nM | 8.52 | Antagonist activity at C5aR1 in HMDM assessed as inhibition of 1 nM recombinant ... | 28977749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 28977749 | 10.1021/acs.jmedchem.7b00882 | C5a anaphylatoxin chemotactic receptor 1 | 2 |
| 28977749 | 10.1021/acs.jmedchem.7b00882 | Rattus norvegicus | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 30108770 | 10.1039/C6MD00581K | C5a anaphylatoxin chemotactic receptor 1 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine