Compound Detail
CHEMBL244661
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Basic Information
| ChEMBL ID | CHEMBL244661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXWDXKXZKZQFAW-PHFXQHTASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.84
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.98 | 6.98 | 105.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 105.51 | nM | 6.98 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BT1-TN-5... | 23207410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00541D | RAW264.7 | 3 |
| 17383189 | 10.1016/j.bmc.2007.03.031 | TK-10 | 1 |
| 17383189 | 10.1016/j.bmc.2007.03.031 | MCF7 | 1 |
| 17383189 | 10.1016/j.bmc.2007.03.031 | HT-29 | 1 |
| - | 10.1007/s00044-010-9305-6 | Culex quinquefasciatus | 1 |
| 23207410 | 10.1016/j.ejmech.2012.11.006 | Unchecked | 1 |
| 23207410 | 10.1016/j.ejmech.2012.11.006 | Amine oxidase [flavin-containing] B | 1 |
| 23207410 | 10.1016/j.ejmech.2012.11.006 | Amine oxidase [flavin-containing] A | 1 |
| 25278230 | 10.1016/j.bmcl.2014.09.028 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine