Compound Detail
CHEMBL1744478
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Basic Information
| ChEMBL ID | CHEMBL1744478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKWLPIRSUICUFT-JEDNCBNOSA-N |
| Parent Compound | CHEMBL256147 |
| Active Moiety | CHEMBL256147 |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
-1.08
ALogP
3
HBA
5
HBD
111.2
PSA (Ų)
0.21
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.64 | 4.605 | 22700.0 | 6 |
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 22700.0 | nM | 4.64 | Inhibition of NO production in LPS-stimulated mouse RAW264.7 cells preincubated ... | 36746775 |
| RAW264.7 | IC50 | = | 25100.0 | nM | 4.6 | Antiinflammatory activity against LPS-induced NO production in mouse RAW264.7 ce... | 22850207 |
| RAW264.7 | IC50 | = | 25100.0 | nM | 4.6 | Cytotoxicity against mouse RAW264.7 cells assessed as cell survival by SRB assay | 23316950 |
| RAW264.7 | IC50 | = | 25100.0 | nM | 4.6 | Cancer chemopreventive activity in mouse RAW264.7 cells assessed as inhibition o... | 23316950 |
| RAW264.7 | IC50 | = | 25100.0 | nM | 4.6 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 31411887 |
| RAW264.7 | IC50 | = | 25490.0 | nM | 4.59 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 20685125 |
| Nitric oxide synthase, inducible | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of iNOS-mediated NO production in mouse RAW264.7 cells by Griess assa... | 23994869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23316950 | 10.1021/np300534x | RAW264.7 | 2 |
| 20685125 | 10.1016/j.bmc.2010.03.057 | RAW264.7 | 1 |
| 22850207 | 10.1016/j.bmcl.2012.07.010 | RAW264.7 | 1 |
| 23994869 | 10.1016/j.ejmech.2013.07.052 | Nitric oxide synthase, inducible | 1 |
| 31411887 | 10.1021/acs.jnatprod.8b01078 | RAW264.7 | 1 |
| 36746775 | 10.1021/acs.jnatprod.2c00861 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine