Compound Detail
CHEMBL1376183
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Basic Information
| ChEMBL ID | CHEMBL1376183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSELFROHQVYFMG-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.0
MW (Da)
4.48
ALogP
8
HBA
1
HBD
110.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.71
IC50 2 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.71 | 5.0833 | 1960.0 | 3 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.56 | 4.56 | 27700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.52 | 4.52 | 30300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1960.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 16528.0 | nM | 4.78 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 17450.0 | nM | 4.76 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Matrix metalloproteinase-14 | IC50 | = | 27700.0 | nM | 4.56 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
| Unchecked | IC50 | = | 30300.0 | nM | 4.52 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
Data from ChEMBL 36 via Core Engine