Compound Detail
CHEMBL4226801
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Basic Information
| ChEMBL ID | CHEMBL4226801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWIBYNSIUYHUSL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
301.7
MW (Da)
3.98
ALogP
5
HBA
0
HBD
78.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | IC50 | 4.78 | 4.78 | 16550.0 | 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 | = | 16550.0 | nM | 4.78 | Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Esc... | 29576270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29576270 | 10.1016/j.bmc.2018.03.024 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 1 |
Data from ChEMBL 36 via Core Engine