Compound Detail
CHEMBL1778128
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Basic Information
| ChEMBL ID | CHEMBL1778128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWBKDJSKHXGOJY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
0.93
ALogP
3
HBA
1
HBD
52.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 3.39
IC50 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 5.45 | 5.45 | 3540.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 3.39 | 3.22 | 410000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 3540.0 | nM | 5.45 | Inhibition of full length recombinant human LOXL2 expressed in CHO cells assesse... | 28435530 |
| Unchecked | Ki | = | 410000.0 | nM | 3.39 | Un-competitive inhibition of metallo-beta-lactamase IMP-1 expressed in Escherich... | 21536436 |
| Unchecked | Ki | = | 890000.0 | nM | 3.05 | Competitive inhibition of metallo-beta-lactamase IMP-1 expressed in Escherichia ... | 21536436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21536436 | 10.1016/j.bmcl.2011.04.027 | Unchecked | 2 |
| 28435530 | 10.1021/acsmedchemlett.7b00014 | Lysyl oxidase homolog 2 | 1 |
Data from ChEMBL 36 via Core Engine