Compound Detail
CHEMBL476397
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Basic Information
| ChEMBL ID | CHEMBL476397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWYPRSYDGFFYPQ-WYMLVPIESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.07
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania braziliensis CHEMBL612878 | IC50 | 5.46 | 5.46 | 3500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania braziliensis | IC50 | = | 3500.0 | nM | 5.46 | Antileishmanial activity against Leishmania braziliensis MHOM/BR/75/M2904 promas... | 18554753 |
| Leishmania braziliensis | IC50 | = | 3500.0 | nM | 5.46 | Antileishmanial activity against promastigote form of Leishmania braziliensis | 30496988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18554753 | 10.1016/j.ejmech.2008.04.016 | Leishmania braziliensis | 3 |
| 18554753 | 10.1016/j.ejmech.2008.04.016 | Trypanosoma cruzi | 1 |
| 18554753 | 10.1016/j.ejmech.2008.04.016 | ADMET | 1 |
| 30496988 | 10.1016/j.ejmech.2018.11.017 | Leishmania braziliensis | 1 |
Data from ChEMBL 36 via Core Engine