Compound Detail
CHEMBL1309895
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Basic Information
| ChEMBL ID | CHEMBL1309895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JENMTPUZLVWREN-VMPITWQZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.7
MW (Da)
2.88
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.43 | 5.43 | 3734.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.75 | 4.75 | 17900.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.21 | 4.21 | 61600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 3734.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| 72 kDa type IV collagenase | IC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 17900.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 61600.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine