Compound Detail
CHEMBL89626
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Basic Information
| ChEMBL ID | CHEMBL89626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRMDXTVKVHKWEK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
238.2
MW (Da)
1.63
ALogP
4
HBA
2
HBD
86.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.64 | 5.64 | 2280.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 2280.0 | nM | 5.64 | Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI inse... | 34915314 |
| Amine oxidase [flavin-containing] B | IC50 | = | 2410.0 | nM | 5.62 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... | 34915314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23279865 | 10.1016/j.ejmech.2012.11.032 | Telomerase reverse transcriptase | 4 |
| 23279865 | 10.1016/j.ejmech.2012.11.032 | NON-PROTEIN TARGET | 3 |
| 24051300 | 10.1016/j.ejmech.2013.06.058 | Telomerase reverse transcriptase | 3 |
| 24051300 | 10.1016/j.ejmech.2013.06.058 | NON-PROTEIN TARGET | 3 |
| 11128637 | 10.1016/s0960-894x(00)00530-8 | Glutamate NMDA receptor | 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