Compound Detail
CHEMBL479592
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL479592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVTTWOKDHXAHMH-VGOFMYFVSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
293.7
MW (Da)
2.61
ALogP
5
HBA
1
HBD
97.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.39 | 5.006 | 4030.0 | 5 |
| Leishmania donovani CHEMBL367 | IC50 | 5.11 | 5.11 | 7830.0 | 1 |
| J774 CHEMBL614123 | IC50 | 4.24 | 4.24 | 57110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 4030.0 | nM | 5.39 | Antitrypanosomal activity against epimastigotes of Trypanosoma cruzi Y assessed ... | 23816040 |
| Leishmania donovani | IC50 | = | 7830.0 | nM | 5.11 | Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs ... | 18571927 |
| Trypanosoma cruzi | IC50 | = | 8640.0 | nM | 5.06 | Antitrypanosomal activity against Trypanosoma cruzi Colombiana Tc1 epimastigotes... | 29247858 |
| Trypanosoma cruzi | IC50 | = | 9150.0 | nM | 5.04 | Anti-trypanosomal activity against Trypanosoma cruzi Y epimastigote forms assess... | 25899337 |
| Trypanosoma cruzi | IC50 | = | 14450.0 | nM | 4.84 | Anti-trypanosomal activity against Trypanosoma cruzi Bug 2149 cl10 epimastigote ... | 25899337 |
| Trypanosoma cruzi | IC50 | = | 19980.0 | nM | 4.7 | Anti-trypanosomal activity against Trypanosoma cruzi Silvio X10 cl1 epimastigote... | 25899337 |
| J774 | IC50 | = | 57110.0 | nM | 4.24 | Cytotoxicity against mouse J774 cells after 48 hrs by MTT assay | 23816040 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25899337 | 10.1016/j.ejmech.2015.03.066 | Trypanosoma cruzi | 8 |
| 29247858 | 10.1016/j.ejmech.2017.12.011 | Trypanosoma cruzi | 3 |
| 25899337 | 10.1016/j.ejmech.2015.03.066 | Unchecked | 3 |
| 19303308 | 10.1016/j.bmc.2009.02.056 | Trypanosoma cruzi | 3 |
| 24751553 | 10.1016/j.bmc.2014.03.044 | Staphylococcus aureus | 3 |
| 24751553 | 10.1016/j.bmc.2014.03.044 | Escherichia coli | 2 |
| 24751553 | 10.1016/j.bmc.2014.03.044 | Candida albicans | 2 |
| 24751553 | 10.1016/j.bmc.2014.03.044 | Enterococcus faecalis | 2 |
| 23816040 | 10.1016/j.bmc.2013.06.017 | Unchecked | 2 |
| 23816040 | 10.1016/j.bmc.2013.06.017 | Trypanosoma cruzi | 2 |
| 18571927 | 10.1016/j.bmc.2008.05.076 | Leishmania donovani | 2 |
| 23816040 | 10.1016/j.bmc.2013.06.017 | J774 | 1 |
| 23816040 | 10.1016/j.bmc.2013.06.017 | ADMET | 1 |
| 24751553 | 10.1016/j.bmc.2014.03.044 | Klebsiella pneumoniae | 1 |
| 24751553 | 10.1016/j.bmc.2014.03.044 | Enterobacter cloacae | 1 |
| 24751553 | 10.1016/j.bmc.2014.03.044 | Serratia marcescens | 1 |
| 25899337 | 10.1016/j.ejmech.2015.03.066 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine