Compound Detail
CHEMBL1802004
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Basic Information
| ChEMBL ID | CHEMBL1802004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEGOGTZGMYUYAH-BJMVGYQFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
4.61
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.84 | 6.84 | 145.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 145.0 | nM | 6.84 | Inhibition of recombinant human MAOB using benzylamine as substrate after 30 min... | 26337020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21539383 | 10.1021/jm2002348 | Nuclear factor erythroid 2-related factor 2 | 2 |
| 22310230 | 10.1016/j.bmcl.2011.12.141 | Androgen receptor | 1 |
| 26337020 | 10.1016/j.bmc.2015.08.012 | Unchecked | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine