Compound Detail
CHEMBL394918
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Basic Information
| ChEMBL ID | CHEMBL394918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPMMCDFKDCCWDV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
448.2
MW (Da)
4.62
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania chagasi CHEMBL612790 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.54 | 5.54 | 2850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania chagasi | IC50 | = | 530.0 | nM | 6.28 | Antiprotozoal activity against Leishmania chagasi PP75 in vero cells | 17889546 |
| Leishmania amazonensis | IC50 | = | 2850.0 | nM | 5.54 | Antiprotozoal activity against Leishmania amazonensis 575 in vero cells | 17889546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17889546 | 10.1016/j.bmc.2007.09.007 | Leishmania amazonensis | 1 |
| 17889546 | 10.1016/j.bmc.2007.09.007 | Leishmania chagasi | 1 |
| 17889546 | 10.1016/j.bmc.2007.09.007 | Trypanosoma cruzi | 1 |
| 17889546 | 10.1016/j.bmc.2007.09.007 | Vero | 1 |
Data from ChEMBL 36 via Core Engine