Compound Detail
CHEMBL4745229
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Basic Information
| ChEMBL ID | CHEMBL4745229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVBFCZYNTFMWCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
467.9
MW (Da)
5.02
ALogP
6
HBA
3
HBD
117.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | IC50 | 5.27 | 5.27 | 5420.0 | 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 | IC50 | = | 5420.0 | nM | 5.27 | Inhibition of recombinant human N-terminal His-tagged Pin1 expressed in Escheric... | 27692510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27692510 | 10.1016/j.bmc.2016.09.049 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 1 |
Data from ChEMBL 36 via Core Engine