Compound Detail
CHEMBL3965664
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Cc1cc2c(C(N)=O)nn(CC(=O)N3[C@H](C(=O)Nc4cccc(Br)n4)C[C@@]4(C)C[C@@H]34)c2cn1
Basic Information
| ChEMBL ID | CHEMBL3965664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQSGAFKFWASFPG-IEROGBPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.4
MW (Da)
2.01
ALogP
7
HBA
2
HBD
136.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 5.0 | nM | 8.3 | In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified us... | - |
Data from ChEMBL 36 via Core Engine