Compound Detail
CHEMBL466219
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
COC(=O)c1c(NCCc2c[nH]c3ccccc23)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O
Basic Information
| ChEMBL ID | CHEMBL466219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORLCIEGVIIQWMN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
5.28
ALogP
7
HBA
2
HBD
81.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL613710 | IC50 | 7.53 | 7.53 | 29.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 29.64 | nM | 7.53 | Inhibition of chemotaxis in human neutrophils assessed as inhibition of IL8-indu... | 19394230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19394230 | 10.1016/j.bmc.2009.04.006 | Neutrophil | 3 |
| 19394230 | 10.1016/j.bmc.2009.04.006 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine