Compound Detail
CHEMBL56756
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Basic Information
| ChEMBL ID | CHEMBL56756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBBLTGNLLFHNJE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
4.89
ALogP
2
HBA
1
HBD
33.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.73 | 5.73 | 1850.0 | 1 |
| Leishmania chagasi CHEMBL612790 | IC50 | 5.72 | 5.72 | 1910.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 1850.0 | nM | 5.73 | Antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB0016 proma... | 23851118 |
| Leishmania chagasi | IC50 | = | 1910.0 | nM | 5.72 | Antileishmanial activity against Leishmania chagasi promastigotes after 24 hrs b... | 23851118 |
| Leishmania braziliensis | IC50 | = | 1900.0 | nM | 5.72 | Antileishmanial activity against Leishmania braziliensis promastigotes after 24 ... | 23851118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00334-4 | Human immunodeficiency virus 1 | 1 |
| - | 10.1016/0960-894X(96)00334-4 | ADMET | 1 |
| - | 10.1016/0960-894X(96)00334-4 | Unchecked | 1 |
| 23851118 | 10.1016/j.ejmech.2013.06.040 | ADMET | 1 |
| 23851118 | 10.1016/j.ejmech.2013.06.040 | Leishmania chagasi | 1 |
| 23851118 | 10.1016/j.ejmech.2013.06.040 | Leishmania braziliensis | 1 |
| 23851118 | 10.1016/j.ejmech.2013.06.040 | Leishmania amazonensis | 1 |
Data from ChEMBL 36 via Core Engine