Compound Detail
CHEMBL3400790
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Basic Information
| ChEMBL ID | CHEMBL3400790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFYOXVHPZBNMGP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
345.1
MW (Da)
3.87
ALogP
3
HBA
1
HBD
76.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 3300.0 | nM | 5.48 | Antileishmanial activity against promastigote stage of Leishmania donovani MHOM/... | 25846065 |
| ADMET | IC50 | = | 9000.0 | nM | 5.05 | Cytotoxicity against mouse J774A.1 cells after 72 hrs by MTT assay | 25846065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25846065 | 10.1016/j.bmc.2015.03.064 | Leishmania donovani | 2 |
| 25846065 | 10.1016/j.bmc.2015.03.064 | HepG2 | 1 |
| 25846065 | 10.1016/j.bmc.2015.03.064 | Unchecked | 1 |
| 25846065 | 10.1016/j.bmc.2015.03.064 | Leishmania infantum | 1 |
| 25846065 | 10.1016/j.bmc.2015.03.064 | ADMET | 1 |
| 25846065 | 10.1016/j.bmc.2015.03.064 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine