Compound Detail
CHEMBL2181048
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NC(=O)n1cc(NC(=O)N2C[C@@H](N)C[C@H]2C(=O)NCC(O)c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL2181048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVRXJLCPNDQHSJ-YMNQCSKTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
1.35
ALogP
6
HBA
5
HBD
155.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 4.61 | 4.61 | 24750.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 24750.0 | nM | 4.61 | Inhibition of recombinant human complement factor D after 1 hr | 24900375 |
| Complement factor D | IC50 | = | 24750.0 | nM | 4.61 | In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified us... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900375 | 10.1021/ml300233n | Complement factor D | 1 |
Data from ChEMBL 36 via Core Engine