Compound Detail
CHEMBL4757682
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Basic Information
| ChEMBL ID | CHEMBL4757682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAUWETXSHNWRJB-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
3.66
ALogP
7
HBA
3
HBD
103.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | IC50 | 5.28 | 5.28 | 5260.0 | 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 | = | 5260.0 | nM | 5.28 | Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL2... | 33246256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33246256 | 10.1016/j.bmc.2020.115878 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 1 |
Data from ChEMBL 36 via Core Engine