Compound Detail
CHEMBL12392
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Basic Information
| ChEMBL ID | CHEMBL12392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIFVWLUQBAIPMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
125.2
MW (Da)
1.28
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.58
Ki 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL3769 | Ki | 6.37 | 6.37 | 430.0 | 1 |
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 430.0 | nM | 6.37 | Binding affinity against bovine trypsin | 12036355 |
| Lysyl oxidase homolog 2 | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of full length recombinant human LOXL2 expressed in CHO cells assesse... | 28435530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034126 | 10.1021/jm051076e | Amine oxidase [copper-containing] 3 | 4 |
| 26254943 | 10.1016/j.bmcl.2015.07.043 | Staphylococcus aureus | 3 |
| 3339613 | 10.1021/jm00397a029 | Phenylethanolamine N-methyltransferase | 2 |
| 26254943 | 10.1016/j.bmcl.2015.07.043 | Staphylococcus epidermidis | 2 |
| 36603398 | 10.1016/j.bmc.2022.117137 | ADMET | 2 |
| 6876077 | 10.1021/jm00362a003 | Phenylethanolamine N-methyltransferase | 1 |
| 12036355 | 10.1021/jm0200299 | Serine protease 1 | 1 |
| 12061879 | 10.1021/jm0105833 | Serine protease 1 | 1 |
| 28435530 | 10.1021/acsmedchemlett.7b00014 | Lysyl oxidase homolog 2 | 1 |
| 28527406 | 10.1016/j.ejmech.2017.05.015 | Histone acetyltransferase KAT8 | 1 |
Data from ChEMBL 36 via Core Engine