Compound Detail
CHEMBL224857
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Basic Information
| ChEMBL ID | CHEMBL224857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMMHCRVDJPIDBV-RGEXLXHISA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
5.45
ALogP
7
HBA
1
HBD
75.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.25 | 5.25 | 5560.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.13 | 4.61 | 7330.0 | 2 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.1 | 5.1 | 7920.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 5560.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Unchecked | IC50 | = | 7330.0 | nM | 5.13 | Inhibition of soybean PDF using PDF/FDH coupled spectrophotometric assay | 15615515 |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 7920.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| 72 kDa type IV collagenase | IC50 | = | 10300.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Prothrombin | IC50 | = | 29000.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Unchecked | IC50 | = | 81100.0 | nM | 4.09 | PUBCHEM_BIOASSAY: Dose response validation of uHTS inhibitor hits from DNMT1 for... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615515 | 10.1021/jm049222o | Unchecked | 1 |
| 15615515 | 10.1021/jm049222o | Peptide deformylase | 1 |
Data from ChEMBL 36 via Core Engine