Compound Detail
CHEMBL1090714
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Basic Information
| ChEMBL ID | CHEMBL1090714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOTIJYFZZMIZHN-AQDCRGGLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
4.13
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Ki | = | 1800.0 | nM | 5.75 | Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by f... | 20207139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20207139 | 10.1016/j.bmcl.2010.02.033 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 2 |
| 20207139 | 10.1016/j.bmcl.2010.02.033 | No relevant target | 2 |
| 20207139 | 10.1016/j.bmcl.2010.02.033 | Caco-2 | 2 |
| 20207139 | 10.1016/j.bmcl.2010.02.033 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine