Compound Detail
CHEMBL1348946
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Basic Information
| ChEMBL ID | CHEMBL1348946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOCWESIGOJJCOY-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.4
MW (Da)
4.68
ALogP
9
HBA
3
HBD
119.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.41 | 5.41 | 3940.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.08 | 5.08 | 8280.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 4.61 | 4.6 | 24800.0 | 2 |
| Prothrombin CHEMBL4471 | IC50 | 4.15 | 4.15 | 71200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 3940.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 8280.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Envelope glycoprotein gp160 | IC50 | = | 11000.0 | nM | 4.96 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 12800.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Hexokinase HKDC1 | IC50 | = | 24800.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Hexokinase HKDC1 | IC50 | = | 25900.0 | nM | 4.59 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Prothrombin | IC50 | = | 71200.0 | nM | 4.15 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine