Compound Detail
CHEMBL4111301
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
CCCN[C@H](CC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)c(F)c3n2)CC1)c1ccc(Cl)s1
Basic Information
| ChEMBL ID | CHEMBL4111301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYADFDUSNIAPHE-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
537.1
MW (Da)
3.86
ALogP
9
HBA
2
HBD
105.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 8.0 | nM | 8.1 | ELISA Assay: CVF-Bb complex prepared from purified cobra venom factor (1 μM), re... | - |
Data from ChEMBL 36 via Core Engine