Compound Detail
CHEMBL23328
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Basic Information
| ChEMBL ID | CHEMBL23328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAITVOCMWPNFTL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
2.17
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | IC50 | 4.8 | 4.8 | 16000.0 | 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 | = | 16000.0 | nM | 4.8 | Inhibition of 8His-tagged Pin1 PPIase domain (45-163) | 19969456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19640715 | 10.1016/j.bmcl.2009.07.082 | Unchecked | 3 |
| 19969456 | 10.1016/j.bmcl.2009.11.090 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 2 |
| 1849994 | 10.1021/jm00108a007 | Glutamate NMDA receptor | 1 |
| 15115392 | 10.1021/jm0305117 | NS3 | 1 |
| 19969456 | 10.1016/j.bmcl.2009.11.090 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine