Compound Detail
CHEMBL299152
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Basic Information
| ChEMBL ID | CHEMBL299152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHKQPFRKBBIWTC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
3.57
ALogP
7
HBA
0
HBD
91.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase FKBP1A CHEMBL1902 | Ki | 7.6 | 7.6 | 25.0 | 1 |
| FK506 binding protein 12 CHEMBL2301 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 12.0 | nM | 7.92 | Inhibition constant against peptidyl prolyl isomerase | - |
| Peptidyl-prolyl cis-trans isomerase FKBP1A | Ki | = | 25.0 | nM | 7.6 | Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase... | 9857082 |
| FK506 binding protein 12 | Ki | = | 25.0 | nM | 7.6 | Inhibition of binding to FKBP12 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80135-9 | Unchecked | 1 |
| 9857082 | 10.1021/jm980307x | Peptidyl-prolyl cis-trans isomerase FKBP1A | 1 |
| 9857082 | 10.1021/jm980307x | Gallus gallus | 1 |
| - | 10.1016/S0960-894X(97)00304-1 | FK506 binding protein 12 | 1 |
| - | 10.1016/S0960-894X(97)00304-1 | NON-PROTEIN TARGET | 1 |
| - | 10.1016/S0960-894X(97)00304-1 | Unchecked | 1 |
| - | 10.1016/S0960-894X(97)00304-1 | T-cell | 1 |
Data from ChEMBL 36 via Core Engine