Compound Detail
CHEMBL501026
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Basic Information
| ChEMBL ID | CHEMBL501026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJWFVJQRLFKNKC-MFZFMSHOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
632.8
MW (Da)
3.33
ALogP
9
HBA
5
HBD
138.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania major CHEMBL612879 | IC50 | 4.19 | 4.19 | 64350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania major | IC50 | = | 64350.0 | nM | 4.19 | Antileishmanial activity against Leishmania major DESTO promastigotes after 72 h... | 18771242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18771242 | 10.1021/np800161j | Leishmania major | 1 |
| 18771242 | 10.1021/np800161j | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine