Compound Detail
CHEMBL1706207
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Basic Information
| ChEMBL ID | CHEMBL1706207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYFFZJHGQCKWMV-YUNKPMOVSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
2.93
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.53 | 5.53 | 2940.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 5.32 | 5.32 | 4810.0 | 1 |
| Splenocyte CHEMBL612422 | IC50 | 5.32 | 4.99 | 4800.0 | 2 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.11 | 4.11 | 78400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 2940.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 4810.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Splenocyte | IC50 | = | 4800.0 | nM | 5.32 | Immunosuppressive activity in BALB/c mouse splenocytes assessed as reduction in ... | 38441877 |
| Splenocyte | IC50 | = | 22000.0 | nM | 4.66 | Immunosuppressive activity in BALB/c mouse splenocytes assessed as reduction in ... | 38441877 |
| 72 kDa type IV collagenase | IC50 | = | 78400.0 | nM | 4.11 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38441877 | 10.1021/acs.jnatprod.3c01243 | Splenocyte | 2 |
| 38441877 | 10.1021/acs.jnatprod.3c01243 | Unchecked | 2 |
| 38441877 | 10.1021/acs.jnatprod.3c01243 | T-cell | 1 |
| 38441877 | 10.1021/acs.jnatprod.3c01243 | B-cell line | 1 |
Data from ChEMBL 36 via Core Engine