Compound Detail
CHEMBL3758611
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Basic Information
| ChEMBL ID | CHEMBL3758611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRPADSGBOYFGTN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.3
MW (Da)
3.30
ALogP
7
HBA
1
HBD
99.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania major CHEMBL612879 | IC50 | 4.91 | 4.91 | 12280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania major | IC50 | = | 12280.0 | nM | 4.91 | Antileishmanial activity against Leishmania major promastigotes after 72 hrs by ... | 26619389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26619389 | 10.1016/j.ejmech.2015.11.016 | Leishmania major | 1 |
Data from ChEMBL 36 via Core Engine