Compound Detail
CHEMBL3704558
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
CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc4c(c3)OCO4)C3(C)COC3)c(=O)c2=O)c1O
Basic Information
| ChEMBL ID | CHEMBL3704558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AERTYNHXIVQLQD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
2.35
ALogP
9
HBA
3
HBD
126.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 6.46 | 6.46 | 349.0 | 1 |
| C-X-C chemokine receptor type 1 CHEMBL4029 | IC50 | 5.65 | 5.65 | 2245.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | IC50 | = | 349.0 | nM | 6.46 | In Vitro Assay: The in vitro affinity of the compounds of the present invention ... | - |
| C-X-C chemokine receptor type 1 | IC50 | = | 2245.0 | nM | 5.65 | In Vitro Assay: The in vitro affinity of the compounds of the present invention ... | - |
Data from ChEMBL 36 via Core Engine