Compound Detail
CHEMBL3114044
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COC(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3n2Cc2cc(C)cc(C)c2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL3114044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHBRQHZZTGCIAC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
528.5
MW (Da)
6.53
ALogP
6
HBA
1
HBD
73.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 5.17 | 5.17 | 6820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 6820.0 | nM | 5.17 | Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP263 intrace... | 34171661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24457088 | 10.1016/j.bmc.2013.12.045 | Human immunodeficiency virus 1 | 2 |
| 24457088 | 10.1016/j.bmc.2013.12.045 | Human immunodeficiency virus 2 | 1 |
| 24457088 | 10.1016/j.bmc.2013.12.045 | Unchecked | 1 |
| 24457088 | 10.1016/j.bmc.2013.12.045 | MT4 | 1 |
| 24457088 | 10.1016/j.bmc.2013.12.045 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 34171661 | 10.1016/j.ejmech.2021.113606 | Leishmania infantum | 1 |
Data from ChEMBL 36 via Core Engine