Compound Detail
CHEMBL3747695
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Basic Information
| ChEMBL ID | CHEMBL3747695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYAFFIUVMYKDPE-ZUVMSYQZSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
4.21
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.99 | 4.8433 | 10200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 10200.0 | nM | 4.99 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS/... | - |
| RAW264.7 | IC50 | = | 10232.93 | nM | 4.99 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS/... | - |
| RAW264.7 | IC50 | = | 28300.0 | nM | 4.55 | Cytotoxicity against mouse RAW264.7 cells by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00541D | RAW264.7 | 4 |
| - | 10.1039/C4MD00541D | No relevant target | 3 |
Data from ChEMBL 36 via Core Engine