Compound Detail
CHEMBL1498705
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Basic Information
| ChEMBL ID | CHEMBL1498705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDIMPGUUXPFYAK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
3.53
ALogP
5
HBA
1
HBD
79.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mothers against decapentaplegic homolog 3 CHEMBL1293258 | IC50 | 5.39 | 5.39 | 4098.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.14 | 5.14 | 7280.0 | 1 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 4.88 | 4.88 | 13100.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.16 | 4.16 | 68800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mothers against decapentaplegic homolog 3 | IC50 | = | 4098.0 | nM | 5.39 | PUBCHEM_BIOASSAY: SMAD Transcription Factor Inhibitors Dose Response Confirmatio... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 7280.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Protein-tyrosine kinase 2-beta | IC50 | = | 13100.0 | nM | 4.88 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| Prothrombin | IC50 | = | 68800.0 | nM | 4.16 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine