Compound Detail
CHEMBL1232570
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Basic Information
| ChEMBL ID | CHEMBL1232570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDFZKQJLNGNJAN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
147.2
MW (Da)
1.16
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.1
Kd 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.16 | 4.16 | 70000.0 | 1 |
| Amine oxidase [copper-containing] 3 CHEMBL4592 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 70000.0 | nM | 4.16 | Binding affinity to PRMT5/MTA complex (unknown origin) by SPR analysis | 36545438 |
| Amine oxidase [copper-containing] 3 | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substr... | 23664164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23664164 | 10.1016/j.bmc.2013.04.011 | Amine oxidase [copper-containing] 3 | 2 |
| 36545438 | 10.1039/d2md00163b | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine