Compound Detail
CHEMBL5219487
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CCN(CC)CCNC(=O)Nc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1
Basic Information
| ChEMBL ID | CHEMBL5219487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUPNFHQFTQMSEP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
615.1
MW (Da)
2.70
ALogP
7
HBA
4
HBD
154.7
PSA (Ų)
0.22
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
| Erythrocyte CHEMBL4296518 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 89.0 | nM | 7.05 | Inhibition of human complement factor D using Z-L-Lys-SBzl hydrochloride as subs... | 36272185 |
| Erythrocyte | IC50 | = | 110.0 | nM | 6.96 | Hemolytic activity against rabbit erythrocytes incubated for 30 mins in presence... | 36272185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36272185 | 10.1016/j.bmc.2022.117034 | Complement factor D | 1 |
| 36272185 | 10.1016/j.bmc.2022.117034 | Erythrocyte | 1 |
Data from ChEMBL 36 via Core Engine