Compound Detail
CHEMBL2396878
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Basic Information
| ChEMBL ID | CHEMBL2396878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRRKSEHAFXROIJ-SOFGYWHQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.2
MW (Da)
4.67
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.21 | 5.21 | 6130.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.37 | 4.37 | 42770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 6130.0 | nM | 5.21 | Cytotoxicity against human HCT116 cells assessed as cell survival at 5 to 40 uM ... | 23719279 |
| Amine oxidase [flavin-containing] B | IC50 | = | 42770.0 | nM | 4.37 | Inhibition of MAO-B (unknown origin) using p-tyramine substrate by HPLC method | 24169316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24169316 | 10.1016/j.bmc.2013.10.004 | Amine oxidase [flavin-containing] B | 2 |
| 23719279 | 10.1016/j.bmc.2013.04.086 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine