Compound Detail
CHEMBL3647430
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Basic Information
| ChEMBL ID | CHEMBL3647430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJEMAKQKNYWEFQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
2.44
ALogP
4
HBA
3
HBD
96.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase B CHEMBL2075 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase G CHEMBL3707467 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase D CHEMBL1697657 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase B | IC50 | = | 1200.0 | nM | 5.92 | Enzymatic Assay: Cyclophilin PPlase activity was measured at 20 C. by using the ... | - |
| Peptidyl-prolyl cis-trans isomerase G | IC50 | = | 2800.0 | nM | 5.55 | Enzymatic Assay: Cyclophilin PPlase activity was measured at 20 C. by using the ... | - |
| Peptidyl-prolyl cis-trans isomerase D | IC50 | = | 11400.0 | nM | 4.94 | Enzymatic Assay: Cyclophilin PPlase activity was measured at 20 C. by using the ... | - |
Data from ChEMBL 36 via Core Engine