Compound Detail
CHEMBL4791517
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O=C(O)CNc1nc(Oc2cccc(F)c2)sc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL4791517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STNMECGEARCZJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
537.4
MW (Da)
5.54
ALogP
6
HBA
3
HBD
100.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | IC50 | 4.74 | 4.74 | 18100.0 | 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 | = | 18100.0 | nM | 4.74 | 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