Compound Detail
CHEMBL1650947
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Basic Information
| ChEMBL ID | CHEMBL1650947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBIYZGKJCKMSQW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
3.43
ALogP
7
HBA
0
HBD
91.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP1A CHEMBL1902 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Outer membrane protein MIP CHEMBL1667669 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP1A | IC50 | = | 120.0 | nM | 6.92 | Inhibition of PPIase activity of human FKBP12 expressed in Escherichia coli by s... | 21142106 |
| Outer membrane protein MIP | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in... | 21142106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21142106 | 10.1021/jm101156y | Outer membrane protein MIP | 1 |
| 21142106 | 10.1021/jm101156y | Peptidyl-prolyl cis-trans isomerase FKBP1A | 1 |
Data from ChEMBL 36 via Core Engine