Compound Detail
CHEMBL3467241
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Basic Information
| ChEMBL ID | CHEMBL3467241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJFOUMAUWJEBRT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
200.2
MW (Da)
2.33
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.51 | 6.35 | 309.0 | 2 |
| Histidine--tRNA ligase CHEMBL4662927 | IC50 | 4.51 | 4.46 | 30928.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 309.0 | nM | 6.51 | Inhibition of full length recombinant human LOXL2 expressed in CHO cells assesse... | 28435530 |
| Lysyl oxidase homolog 2 | IC50 | = | 650.0 | nM | 6.19 | Human LOXL2 Amine Oxidase Activity Assay: LOXL2 amine oxidase activity is evalua... | - |
| Histidine--tRNA ligase | IC50 | = | 30928.82 | nM | 4.51 | Leishmania infantum Histidine tRNA synthetase (LdHisRS) | - |
| Histidine--tRNA ligase | IC50 | = | 39239.65 | nM | 4.41 | Leishmania infantum Histidine tRNA synthetase (LdHisRS) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Histidine--tRNA ligase | 4 |
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium berghei | 2 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3988442 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3988442 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL3988442 | Polyketide synthase Pks13 | 1 |
| - | 10.6019/CHEMBL3507680 | Unchecked | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma brucei | 1 |
| - | 10.6019/CHEMBL3988442 | Leishmania donovani | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3988442 | Tryptophan--tRNA ligase | 1 |
| - | 10.6019/CHEMBL3988442 | Wolbachia pipientis | 1 |
| - | 10.6019/CHEMBL3988442 | Coenzyme A biosynthesis bifunctional protein CoaBC | 1 |
| - | 10.6019/CHEMBL3988442 | ClpP1P2 | 1 |
| - | 10.6019/CHEMBL3988442 | Lysine--tRNA ligase | 1 |
| - | 10.6019/CHEMBL3988442 | AMP-activated protein kinase, AMPK | 1 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | HepG2 | 1 |
| 28435530 | 10.1021/acsmedchemlett.7b00014 | Lysyl oxidase homolog 2 | 1 |
| - | 10.6019/CHEMBL3988442 | Methionyl-tRNA synthetase, putative | 1 |
Data from ChEMBL 36 via Core Engine