Compound Detail
CHEMBL4791740
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Basic Information
| ChEMBL ID | CHEMBL4791740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBCPHWDQPPSWQP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
2.45
ALogP
7
HBA
4
HBD
106.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | IC50 | 4.33 | 4.33 | 46890.0 | 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 | = | 46890.0 | nM | 4.33 | 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