Compound Detail
CHEMBL188885
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Basic Information
| ChEMBL ID | CHEMBL188885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKJGGGQAGVNUAM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.2
MW (Da)
3.96
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.93 | 4.93 | 11740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 11740.0 | nM | 4.93 | Tested for growth inhibitory activity against Leishmania amazonensis promastigot... | 15481980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481980 | 10.1021/jm0401006 | Leishmania amazonensis | 2 |
| 15481980 | 10.1021/jm0401006 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine