Compound Detail
CHEMBL4582361
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Basic Information
| ChEMBL ID | CHEMBL4582361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLPVUJKHELUZHR-HMXCVIKNSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
4.70
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Leishmania guyanensis CHEMBL612793 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.04 | 5.04 | 9210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 3900.0 | nM | 5.41 | Antileishmanial activity against Leishmania amazonensis MHOM/Br/79/Mari promasti... | 30840453 |
| Leishmania infantum | IC50 | = | 5000.0 | nM | 5.3 | Antileishmanial activity against Leishmania infantum MCAN/ES/96/BCN150 promastig... | 30840453 |
| Leishmania guyanensis | IC50 | = | 5900.0 | nM | 5.23 | Antileishmanial activity against Leishmania guyanensis 141/93 promastigotes afte... | 30840453 |
| Leishmania donovani | IC50 | = | 9210.0 | nM | 5.04 | Antileishmanial activity against Leishmania donovani MHOM/IN/80/DD8 promastigote... | 30840453 |
Literature References
Data from ChEMBL 36 via Core Engine