Compound Detail
CHEMBL6067661
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Basic Information
| ChEMBL ID | CHEMBL6067661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZTBAJFJEZRQCV-BPWRPNSKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
1.55
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.24 | 4.24 | 57400.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.04 | 4.04 | 91500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 57400.0 | nM | 4.24 | Inhibition of electric eel AChE using acetylthiocholine as substrate assessed as... | 26030662 |
| Plasmodium falciparum | IC50 | = | 91500.0 | nM | 4.04 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum F-32... | 22910226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22910226 | 10.1016/j.bmc.2012.07.036 | Plasmodium falciparum | 1 |
| 26030662 | 10.1021/acs.jnatprod.5b00191 | Acetylcholinesterase | 1 |
| 26030662 | 10.1021/acs.jnatprod.5b00191 | No relevant target | 1 |
| 31515186 | 10.1016/j.bmcl.2019.126642 | Trypanosoma brucei rhodesiense | 1 |
| 31515186 | 10.1016/j.bmcl.2019.126642 | Leishmania donovani | 1 |
| 31515186 | 10.1016/j.bmcl.2019.126642 | Trypanosoma cruzi | 1 |
| 39229678 | 10.1021/acs.jnatprod.4c00825 | Jurkat | 1 |
| 39229678 | 10.1021/acs.jnatprod.4c00825 | MOLT-4 | 1 |
| 39229678 | 10.1021/acs.jnatprod.4c00825 | A549 | 1 |
| 39229678 | 10.1021/acs.jnatprod.4c00825 | HT-29 | 1 |
| 39229678 | 10.1021/acs.jnatprod.4c00825 | PANC-1 | 1 |
| 39229678 | 10.1021/acs.jnatprod.4c00825 | A2780 | 1 |
| 39229678 | 10.1021/acs.jnatprod.4c00825 | HeLa | 1 |
| 39229678 | 10.1021/acs.jnatprod.4c00825 | MCF7 | 1 |
| 39229678 | 10.1021/acs.jnatprod.4c00825 | SAOS-2 | 1 |
| 39229678 | 10.1021/acs.jnatprod.4c00825 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine