Compound Detail
CHEMBL3499995
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Basic Information
| ChEMBL ID | CHEMBL3499995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIVOPPXMAJZUFQ-LDXVYITESA-N |
| Parent Compound | CHEMBL3552849 |
| Active Moiety | CHEMBL3552849 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
2.93
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wolbachia pipientis CHEMBL4649981 | IC50 | 6.17 | 6.095 | 677.9 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.025 | 7947.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wolbachia pipientis | IC50 | = | 677.88 | nM | 6.17 | Anti-Wolbachia Cell-Based Screen | - |
| Wolbachia pipientis | IC50 | = | 957.66 | nM | 6.02 | Anti-Wolbachia Cell-Based Screen | - |
| Unchecked | IC50 | = | 7947.89 | nM | 5.1 | Phenotypic growth assay for Mycobacterium tuberculosis grown for 4 days on DPPC,... | - |
| Unchecked | IC50 | = | 11306.58 | nM | 4.95 | Phenotypic growth assay for Mycobacterium tuberculosis grown for 3 days on 7H9, ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 6 |
| - | 10.6019/CHEMBL3988442 | Wolbachia pipientis | 3 |
| - | 10.6019/CHEMBL3988442 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL3988442 | Histidine--tRNA ligase | 2 |
| - | 10.6019/CHEMBL3507680 | Unchecked | 1 |
| - | 10.6019/CHEMBL3988442 | Methionyl-tRNA synthetase, putative | 1 |
| - | 10.6019/CHEMBL3988442 | Coenzyme A biosynthesis bifunctional protein CoaBC | 1 |
| - | 10.6019/CHEMBL3988442 | Polyketide synthase Pks13 | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma brucei | 1 |
| - | 10.6019/CHEMBL3988442 | ClpP1P2 | 1 |
| - | 10.6019/CHEMBL3988442 | Lysine--tRNA ligase | 1 |
| - | 10.6019/CHEMBL3988442 | Tryptophan--tRNA ligase | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3988442 | Plasmodium falciparum | 1 |
| - | 10.6019/CHEMBL3988442 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine