Compound Detail
CHEMBL1325818
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Basic Information
| ChEMBL ID | CHEMBL1325818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVUKSXMFCJNVRB-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
359.9
MW (Da)
5.67
ALogP
5
HBA
0
HBD
43.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.73
EC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.73 | 4.73 | 18800.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.61 | 4.61 | 24500.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.54 | 4.54 | 28500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 350.0 | nM | 6.46 | PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... | - |
| 72 kDa type IV collagenase | IC50 | = | 18800.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 24500.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 28500.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine