Compound Detail
CHEMBL1452546
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Basic Information
| ChEMBL ID | CHEMBL1452546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPSIHTHUEGTEIM-RDGATRHJSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
5.16
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.65
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.66 | 4.4833 | 21800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 21800.0 | nM | 4.66 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
| Unchecked | IC50 | = | 36000.0 | nM | 4.44 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Unchecked | IC50 | = | 45010.0 | nM | 4.35 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
Data from ChEMBL 36 via Core Engine