Compound Detail
CHEMBL1328072
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Basic Information
| ChEMBL ID | CHEMBL1328072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVPDKBTVSFHGAI-CMDGGOBGSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
273.7
MW (Da)
3.70
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.28
EC50 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.95 | 5.95 | 1119.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.28 | 5.28 | 5210.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.255 | 49840.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | EC50 | = | 1119.0 | nM | 5.95 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 5210.0 | nM | 5.28 | Inhibition of recombinant human MAOB using benzylamine as substrate after 30 min... | 26337020 |
| Unchecked | IC50 | = | 49840.0 | nM | 4.3 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 61739.0 | nM | 4.21 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26337020 | 10.1016/j.bmc.2015.08.012 | Amine oxidase [flavin-containing] A | 1 |
| 26337020 | 10.1016/j.bmc.2015.08.012 | Amine oxidase [flavin-containing] B | 1 |
| 26337020 | 10.1016/j.bmc.2015.08.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine