Compound Detail
CHEMBL3897449
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3897449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKJXOIAGSLVCDT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3990401 |
| Active Moiety | CHEMBL3990401 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
2.53
ALogP
7
HBA
2
HBD
99.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | Ki | 6.58 | 6.58 | 260.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | Ki | = | 260.0 | nM | 6.58 | Inhibition of recombinant human MIF tautomerase activity expressed in Escherichi... | 28105287 |
| Macrophage migration inhibitory factor | Ki | = | 260.0 | nM | 6.58 | Inhibition of recombinant human MIF tautomerase activity expressed in Escherichi... | 29259749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29259749 | 10.1021/acsmedchemlett.7b00384 | Macrophage migration inhibitory factor | 2 |
| 28105287 | 10.1021/acsmedchemlett.6b00451 | Macrophage migration inhibitory factor | 1 |
| 28105287 | 10.1021/acsmedchemlett.6b00451 | No relevant target | 1 |
| 29259749 | 10.1021/acsmedchemlett.7b00384 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine