Compound Detail
CHEMBL5194716
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Basic Information
| ChEMBL ID | CHEMBL5194716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLOCYFFTXGLYGZ-GXDHUFHOSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.60
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.94 | 6.94 | 115.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.88 | 5.88 | 1320.0 | 1 |
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 5.7 | 5.695 | 1990.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 115.0 | nM | 6.94 | Inhibition of human MAO-B using kynuramine as substrate incubated for 20 mins by... | 32920430 |
| RAW264.7 | IC50 | = | 1320.0 | nM | 5.88 | Inhibition of ROS production in LPS-induced mouse RAW264.7 cells | 35932905 |
| Macrophage migration inhibitory factor | IC50 | = | 1990.0 | nM | 5.7 | Inhibition of human recombinant MIF enolase activity using phenylpyruvate as sub... | 36587420 |
| Macrophage migration inhibitory factor | IC50 | = | 2040.0 | nM | 5.69 | Inhibition of human recombinant MIF ketonase activity using phenylpyruvate as su... | 36587420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36587420 | 10.1016/j.ejmech.2022.115050 | RAW264.7 | 6 |
| 35932905 | 10.1016/j.bmcl.2022.128921 | RAW264.7 | 3 |
| 36587420 | 10.1016/j.ejmech.2022.115050 | Macrophage migration inhibitory factor | 2 |
| 32920430 | 10.1016/j.ejmech.2020.112650 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine