Compound Detail
CHEMBL4746352
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Basic Information
| ChEMBL ID | CHEMBL4746352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGJGTRLHLAPGEE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
3.15
ALogP
5
HBA
0
HBD
60.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.89
Ki 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 7.12 | 7.12 | 76.5 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 76.5 | nM | 7.12 | Competitive inhibition of recombinant human MAO-B expressed in baculovirus infec... | 33071056 |
| Amine oxidase [flavin-containing] B | IC50 | = | 130.0 | nM | 6.89 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5... | 33071056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33071056 | 10.1016/j.ejmech.2020.112911 | Amine oxidase [flavin-containing] B | 3 |
| 33071056 | 10.1016/j.ejmech.2020.112911 | SH-SY5Y | 3 |
| 33071056 | 10.1016/j.ejmech.2020.112911 | Amine oxidase [flavin-containing] A | 1 |
| 33071056 | 10.1016/j.ejmech.2020.112911 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine