Compound Detail
CHEMBL1466353
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Basic Information
| ChEMBL ID | CHEMBL1466353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NITHMFXIRVGRJD-XNTDXEJSSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.59
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.37
IC50 2 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.45 | 5.45 | 3560.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 4.37 | 4.37 | 42232.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.28 | 4.28 | 52750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 910.0 | nM | 6.04 | Inhibition of human MAO-A | 36162779 |
| Amine oxidase [flavin-containing] B | IC50 | = | 3560.0 | nM | 5.45 | Inhibition of recombinant human MAO-B | 36162779 |
| Streptokinase A | EC50 | = | 42232.0 | nM | 4.37 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 52750.0 | nM | 4.28 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36162779 | 10.1016/j.bmcl.2022.128994 | Unchecked | 1 |
| 36162779 | 10.1016/j.bmcl.2022.128994 | Amine oxidase [flavin-containing] B | 1 |
| 36162779 | 10.1016/j.bmcl.2022.128994 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine