Compound Detail
CHEMBL4161222
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Basic Information
| ChEMBL ID | CHEMBL4161222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONRUCWPTBOHFGA-HSZRJFAPSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
4.62
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.01
Kd 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | Kd | 4.1 | 4.1 | 80000.0 | 1 |
| Complement factor D CHEMBL2176771 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | Kd | = | 80000.0 | nM | 4.1 | Displacement of 19F[(S)-methyl 2-((2-(3-(trifluoromethoxy)phenylcarbamoyl)pyrrol... | 29795765 |
| Complement factor D | IC50 | = | 98000.0 | nM | 4.01 | Inhibition of recombinant complement factor D catalytic domain (unknown origin) ... | 29795765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29795765 | 10.1021/acsmedchemlett.8b00104 | Complement factor D | 2 |
Data from ChEMBL 36 via Core Engine