Compound Detail
CHEMBL38650
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Basic Information
| ChEMBL ID | CHEMBL38650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNVMKPYDOHZJLR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
1
Known Names
Molecular Properties
266.3
MW (Da)
4.12
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Organic anion transporter 3 CHEMBL1641348 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 3100.0 | nM | 5.51 | Antiinflammatory activity in mouse RAW 264.7 cells assessed as inhibition of LPS... | 29280630 |
| Organic anion transporter 3 | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of OAT3 (unknown origin) expressed in HEK293 cells assessed as reduct... | 30892891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27808510 | 10.1021/acs.jnatprod.6b00581 | Staphylococcus aureus | 3 |
| 30892891 | 10.1021/acs.jnatprod.8b00888 | Organic anion transporter 3 | 3 |
| 29280630 | 10.1021/acs.jnatprod.7b00619 | Mus musculus | 2 |
| 4045930 | 10.1021/jm00148a031 | Staphylococcus aureus | 1 |
| 4045930 | 10.1021/jm00148a031 | Klebsiella pneumoniae | 1 |
| 4045930 | 10.1021/jm00148a031 | Mycolicibacterium smegmatis | 1 |
| 4045930 | 10.1021/jm00148a031 | Candida albicans | 1 |
| 4045930 | 10.1021/jm00148a031 | Homo sapiens | 1 |
| 4045930 | 10.1021/jm00148a031 | B16 | 1 |
| 4045930 | 10.1021/jm00148a031 | L1210 | 1 |
| 22014548 | 10.1016/j.bmcl.2011.09.094 | dTDP-4-dehydrorhamnose reductase | 1 |
| 30892891 | 10.1021/acs.jnatprod.8b00888 | Solute carrier family 22 member 6 | 1 |
| 29280630 | 10.1021/acs.jnatprod.7b00619 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine