Compound Detail
CHEMBL594199
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Basic Information
| ChEMBL ID | CHEMBL594199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALZQGHRYVMAIDH-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
2.27
ALogP
5
HBA
2
HBD
118.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 4.84 | 4.525 | 14500.0 | 2 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.18 | 4.18 | 66700.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.09 | 4.09 | 80800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 14500.0 | nM | 4.84 | Antileishmanial activity against Leishmania infantum MCAN/ES/92/BCN 83 promastig... | 19811921 |
| Leishmania infantum | IC50 | = | 61300.0 | nM | 4.21 | Leishmanicidal activity against extracellular promastigote stage of Leishmania i... | 24151871 |
| Leishmania amazonensis | IC50 | = | 66700.0 | nM | 4.18 | Leishmanicidal activity against extracellular promastigote stage of Leishmania a... | 24151871 |
| Leishmania braziliensis | IC50 | = | 80800.0 | nM | 4.09 | Leishmanicidal activity against extracellular promastigote stage of Leishmania b... | 24151871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19811921 | 10.1016/j.bmc.2009.09.030 | Leishmania infantum | 2 |
| 19811921 | 10.1016/j.bmc.2009.09.030 | J774 | 1 |
| 24151871 | 10.1021/jm4006127 | ADMET | 1 |
| 24151871 | 10.1021/jm4006127 | J774 | 1 |
| 24151871 | 10.1021/jm4006127 | Trypanosoma cruzi | 1 |
| 24151871 | 10.1021/jm4006127 | Leishmania amazonensis | 1 |
| 24151871 | 10.1021/jm4006127 | Leishmania guyanensis | 1 |
| 24151871 | 10.1021/jm4006127 | Leishmania braziliensis | 1 |
| 24151871 | 10.1021/jm4006127 | Leishmania infantum | 1 |
Data from ChEMBL 36 via Core Engine