Compound Detail
CHEMBL3751948
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Basic Information
| ChEMBL ID | CHEMBL3751948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRAHLOLDGWANES-QPUJVOFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
2.06
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N9 CHEMBL613516 | IC50 | 4.47 | 4.47 | 34100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N9 | IC50 | = | 34100.0 | nM | 4.47 | Antiinflammatory activity in mouse N9 cells assessed as inhibition of LPS-induce... | 26617964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26617964 | 10.1021/acsmedchemlett.5b00241 | N9 | 3 |
| 38438305 | 10.1021/acs.jnatprod.3c01075 | MDA-MB-231 | 1 |
| 38438305 | 10.1021/acs.jnatprod.3c01075 | MCF7 | 1 |
| 38438305 | 10.1021/acs.jnatprod.3c01075 | A549 | 1 |
| 38438305 | 10.1021/acs.jnatprod.3c01075 | KB | 1 |
| 38438305 | 10.1021/acs.jnatprod.3c01075 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine