Compound Detail
CHEMBL3678914
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C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc21)c1cccc(Cl)c1F
Basic Information
| ChEMBL ID | CHEMBL3678914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAALCKJNOOFODD-SKNMWMDOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.9
MW (Da)
2.19
ALogP
6
HBA
2
HBD
123.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 8.0 | 7.76 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 10.0 | nM | 8.0 | In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified us... | - |
| Complement factor D | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human complement factor D using Z-L-Lys-SBzl hydrochloride as subs... | 36272185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36272185 | 10.1016/j.bmc.2022.117034 | Complement factor D | 1 |
Data from ChEMBL 36 via Core Engine