Compound Detail
CHEMBL3612068
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Basic Information
| ChEMBL ID | CHEMBL3612068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNUVXQVQQFQSPZ-CNHKJKLMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.2
MW (Da)
5.05
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania braziliensis CHEMBL612878 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania braziliensis | IC50 | = | 30.0 | nM | 7.52 | Leishmanicidal activity against Leishmania braziliensis MHOM/BR/01/BA788 after 4... | 26107111 |
| Leishmania amazonensis | IC50 | = | 26000.0 | nM | 4.58 | Leishmanicidal activity against Leishmania amazonensis MHOM/BR/87/BA125 after 48... | 26107111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26107111 | 10.1016/j.ejmech.2015.06.014 | Leishmania braziliensis | 2 |
| 26107111 | 10.1016/j.ejmech.2015.06.014 | Leishmania amazonensis | 2 |
| 26107111 | 10.1016/j.ejmech.2015.06.014 | J774 | 2 |
Data from ChEMBL 36 via Core Engine