Compound Detail
CHEMBL1163019
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Basic Information
| ChEMBL ID | CHEMBL1163019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VISSOACZDBUZIC-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
3.43
ALogP
3
HBA
3
HBD
95.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | Ki | 8.1 | 8.1 | 8.0 | 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 | = | 8.0 | nM | 8.1 | Displacement of WFYpSPFLE from human Pin1 after 10-20 mins by fluorescence polar... | 19729306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19729306 | 10.1016/j.bmcl.2009.08.034 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 1 |
Data from ChEMBL 36 via Core Engine