Compound Detail
CHEMBL153505
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Basic Information
| ChEMBL ID | CHEMBL153505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIPZCQZTVDNJHQ-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
238.2
MW (Da)
3.17
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.33
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | Ki | 6.33 | 6.1967 | 470.0 | 3 |
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 5.75 | 5.75 | 1760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | Ki | = | 470.0 | nM | 6.33 | Inhibitory activity against tautomerase macrophage migration inhibitory factor (... | 11170644 |
| Macrophage migration inhibitory factor | Ki | = | 470.0 | nM | 6.33 | Inhibition of human recombinant MIF tautomerase | 19090668 |
| Macrophage migration inhibitory factor | Ki | = | 1170.0 | nM | 5.93 | Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherich... | 32940040 |
| Macrophage migration inhibitory factor | IC50 | = | 1760.0 | nM | 5.75 | Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherich... | 32940040 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32940040 | 10.1021/acs.jmedchem.0c01160 | Macrophage migration inhibitory factor | 2 |
| 11170644 | 10.1021/jm000386o | Macrophage migration inhibitory factor | 1 |
| 19090668 | 10.1021/jm801100v | Macrophage migration inhibitory factor | 1 |
| 21391687 | 10.1021/jm101489w | Myelin basic protein | 1 |
| 21514152 | 10.1016/j.bmcl.2011.04.012 | Tyrosinase | 1 |
| 21920747 | 10.1016/j.bmcl.2011.08.090 | HL-60 | 1 |
| 21920747 | 10.1016/j.bmcl.2011.08.090 | A549 | 1 |
| - | 10.6019/CHEMBL4513135 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513135 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513135 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513135 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513135 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513135 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513135 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine