Compound Detail
CHEMBL26323
DECUSSATIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL26323 |
| Name | DECUSSATIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYRIGRQQKUZPEX-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
2.68
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.72
Kd 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.54 | 4.54 | 28800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 19000.0 | nM | 4.72 | Concentration required to inhibit monoamine oxidase activity by 50% | 15482934 |
| Unchecked | Kd | = | 28800.0 | nM | 4.54 | Binding affinity of compound to P-glycoprotein recombinant domain of prenylated ... | 10890160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30282319 | 10.1016/j.ejmech.2018.07.073 | Maltase-glucoamylase | 2 |
| 10890160 | 10.1016/s0960-894x(00)00234-1 | Unchecked | 1 |
| 15482934 | 10.1016/j.bmcl.2004.08.066 | Amine oxidase [flavin-containing] A | 1 |
| 18406151 | 10.1016/j.bmc.2008.03.069 | C6 | 1 |
| 18406151 | 10.1016/j.bmc.2008.03.069 | U-251 | 1 |
| 18406151 | 10.1016/j.bmc.2008.03.069 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine