Compound Detail
CHEMBL2007227
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Basic Information
| ChEMBL ID | CHEMBL2007227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIMLXYXCMRNIKK-YBFXNURJSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
3.25
ALogP
4
HBA
1
HBD
49.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.92
EC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.89 | 6.255 | 128.0 | 2 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.92 | 4.92 | 11900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.87 | 4.87 | 13410.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 128.0 | nM | 6.89 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Acti... | - |
| Unchecked | EC50 | = | 2386.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 11900.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Unchecked | IC50 | = | 13410.0 | nM | 4.87 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Prothrombin | IC50 | = | 14000.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine