Compound Detail
CHEMBL187301
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Basic Information
| ChEMBL ID | CHEMBL187301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHOGNBXWAZDZBM-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
149.2
MW (Da)
0.43
ALogP
2
HBA
3
HBD
75.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 3.17
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 5.96 | 5.96 | 1110.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 3.17 | 3.17 | 680000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 1110.0 | nM | 5.96 | Inhibition of full length recombinant human LOXL2 expressed in CHO cells assesse... | 28435530 |
| Coagulation factor X | Ki | = | 680000.0 | nM | 3.17 | Inhibition of human factor 10a using Boc-Leu-Gly-Arg-AMC as fluorogenic substrat... | 32539387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15380220 | 10.1016/j.bmcl.2004.07.054 | Unchecked | 1 |
| 28435530 | 10.1021/acsmedchemlett.7b00014 | Lysyl oxidase homolog 2 | 1 |
| 31820982 | 10.1021/acs.jmedchem.9b01183 | Coagulation factor X | 1 |
| 32539387 | 10.1021/acs.jmedchem.0c00242 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine