Compound Detail
CHEMBL2180144
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Basic Information
| ChEMBL ID | CHEMBL2180144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPXINCHFOLVVSG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
213.7
MW (Da)
4.04
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.04 | 4.04 | 91900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 12100.0 | nM | 4.92 | Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI inse... | 34915314 |
| Amine oxidase [flavin-containing] B | IC50 | = | 91900.0 | nM | 4.04 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... | 34915314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23075067 | 10.1021/jm300845v | P2X purinoceptor 4 | 2 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] A | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] B | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine