Compound Detail
CHEMBL3288306
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Basic Information
| ChEMBL ID | CHEMBL3288306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNSQPQKPPGALFA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
162.2
MW (Da)
1.91
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.36 | 4.36 | 43800.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.18 | 4.18 | 66400.0 | 1 |
| Protein kinase C iota type CHEMBL2598 | IC50 | 2.77 | 2.77 | 1677000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 43800.0 | nM | 4.36 | Inhibition of recombinant human MAO-A using kynuramine as substrate assessed as ... | 24794105 |
| Amine oxidase [flavin-containing] B | IC50 | = | 66400.0 | nM | 4.18 | Inhibition of recombinant human MAO-B using kynuramine as substrate assessed as ... | 24794105 |
| Protein kinase C iota type | IC50 | = | 1677000.0 | nM | 2.77 | Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in bacul... | 29688013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24794105 | 10.1016/j.bmcl.2014.04.021 | Amine oxidase [flavin-containing] A | 1 |
| 24794105 | 10.1016/j.bmcl.2014.04.021 | Amine oxidase [flavin-containing] B | 1 |
| 24794105 | 10.1016/j.bmcl.2014.04.021 | Unchecked | 1 |
| 29688013 | 10.1021/acs.jmedchem.8b00060 | Protein kinase C iota type | 1 |
Data from ChEMBL 36 via Core Engine