Compound Detail
CHEMBL1983530
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Basic Information
| ChEMBL ID | CHEMBL1983530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSQZGRXVYRTOEB-MDWZMJQESA-N |
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
230.2
MW (Da)
2.37
ALogP
4
HBA
2
HBD
83.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.05
EC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.44 | 5.44 | 3633.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.37 | 5.37 | 4320.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.05 | 5.05 | 8960.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 5.01 | 5.01 | 9840.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.21 | 4.165 | 61990.0 | 2 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.15 | 4.15 | 70300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | EC50 | = | 3633.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Unchecked | EC50 | = | 4320.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caus... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 8960.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 9840.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Unchecked | IC50 | = | 61990.0 | nM | 4.21 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
| 72 kDa type IV collagenase | IC50 | = | 70300.0 | nM | 4.15 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Unchecked | IC50 | = | 74960.0 | nM | 4.12 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine