Compound Detail
CHEMBL24172
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Basic Information
| ChEMBL ID | CHEMBL24172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLRACCBDVIHHLZ-UHFFFAOYSA-N |
1
Targets
8
Activities
2
Assay Types
1
PK Parameters
20
Publications
0
Known Names
Molecular Properties
173.3
MW (Da)
2.41
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas.
Ki 4 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2756 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4367 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 100000.0 | nM | 4.0 | Binding affinity against monoamine oxidase-B (MAO-B) | 2783613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3488406 | 10.1021/jm00158a033 | Mus musculus | 6 |
| 2258899 | 10.1021/jm00174a007 | Monoamine oxidase | 4 |
| 8487265 | 10.1021/jm00061a020 | Amine oxidase [flavin-containing] B | 4 |
| 2783613 | 10.1021/jm00122a031 | Dopamine receptor | 4 |
| 20451395 | 10.1016/j.bmc.2010.03.079 | Unchecked | 4 |
| 3871859 | 10.1021/jm00381a009 | Dihydropteridine reductase | 4 |
| 3260955 | 10.1021/jm00403a013 | Amine oxidase [flavin-containing] B | 3 |
| 10454528 | - | Organic cation/carnitine transporter 2 | 3 |
| 1447747 | 10.1021/jm00101a026 | Amine oxidase [flavin-containing] B | 3 |
| 8151621 | 10.1021/jm00033a012 | Amine oxidase [flavin-containing] B | 3 |
| 8151621 | 10.1021/jm00033a012 | Amine oxidase [flavin-containing] A | 3 |
| 1433219 | 10.1021/jm00100a023 | ADMET | 3 |
| 3260955 | 10.1021/jm00403a013 | ADMET | 3 |
| 7783122 | 10.1021/jm00011a010 | Amine oxidase [flavin-containing] A | 3 |
| 3879267 | 10.1021/np50042a002 | Amine oxidase [flavin-containing] B | 3 |
| 19397318 | 10.1021/jm9003945 | No relevant target | 3 |
| 9207939 | 10.1021/jm970079r | Amine oxidase [flavin-containing] B | 3 |
| 9207939 | 10.1021/jm970079r | Amine oxidase [flavin-containing] A | 3 |
| 8809158 | 10.1021/jm9603882 | Amine oxidase [flavin-containing] B | 3 |
| 7783122 | 10.1021/jm00011a010 | Amine oxidase [flavin-containing] B | 3 |
Data from ChEMBL 36 via Core Engine