Compound Detail
CHEMBL1089602
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Basic Information
| ChEMBL ID | CHEMBL1089602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUBIUGCAICFSAW-XFULWGLBSA-N |
| Parent Compound | CHEMBL1092490 |
| Active Moiety | CHEMBL1092490 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
3.37
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | Ki | 8.22 | 8.22 | 6.0 | 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 | = | 6.0 | nM | 8.22 | 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 | 1 |
Data from ChEMBL 36 via Core Engine