Compound Detail
CHEMBL1807493
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Basic Information
| ChEMBL ID | CHEMBL1807493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONNTWHMBMWIVRU-CHHVJCJISA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.72
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.31 | 4.8167 | 4900.0 | 3 |
| Leishmania donovani CHEMBL367 | IC50 | 4.58 | 4.58 | 26400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 4900.0 | nM | 5.31 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
| RAW264.7 | IC50 | = | 9300.0 | nM | 5.03 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
| Leishmania donovani | IC50 | = | 26400.0 | nM | 4.58 | Antileishmanial activity against Leishmania donovani promastigotes assessed as p... | 36944273 |
| RAW264.7 | IC50 | = | 77430.0 | nM | 4.11 | Cytotoxicity against mouse RAW264.7 cells after 24 hrs by MTT assay | 21723122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21723122 | 10.1016/j.bmcl.2011.05.117 | RAW264.7 | 3 |
| 36944273 | 10.1016/j.ejmech.2023.115256 | Leishmania donovani | 3 |
Data from ChEMBL 36 via Core Engine