Compound Detail
CHEMBL4645520
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Basic Information
| ChEMBL ID | CHEMBL4645520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTRRKPVBLGFMGW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.08
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | EC50 | 5.9 | 5.9 | 1258.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | EC50 | = | 1258.93 | nM | 5.9 | Antileishmanial activity against Leishmania donovani amastigotes infected in hum... | 32663005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32663005 | 10.1021/acs.jmedchem.0c00705 | No relevant target | 2 |
| 32663005 | 10.1021/acs.jmedchem.0c00705 | Leishmania donovani | 1 |
| 32663005 | 10.1021/acs.jmedchem.0c00705 | THP-1 | 1 |
| 32663005 | 10.1021/acs.jmedchem.0c00705 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine