Compound Detail
CHEMBL5273604
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Basic Information
| ChEMBL ID | CHEMBL5273604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIZQSTZVLBDALQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
6.17
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase A CHEMBL1949 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase B CHEMBL2075 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase A | Ki | = | 1200.0 | nM | 5.92 | Binding affinity to CypA (unknown origin) | 27409354 |
| Peptidyl-prolyl cis-trans isomerase B | Ki | = | 2100.0 | nM | 5.68 | Binding affinity to CypB (unknown origin) | 27409354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27409354 | 10.1021/acs.jmedchem.6b00411 | Peptidyl-prolyl cis-trans isomerase A | 1 |
| 27409354 | 10.1021/acs.jmedchem.6b00411 | Peptidyl-prolyl cis-trans isomerase B | 1 |
Data from ChEMBL 36 via Core Engine