Compound Detail
CHEMBL4871887
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4871887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNPGPRSTVUXZBR-DAXSKMNVSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
186.2
MW (Da)
1.22
ALogP
4
HBA
0
HBD
69.2
PSA (Ų)
0.23
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.62 | 6.39 | 240.0 | 3 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.46 | 5.46 | 3450.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.42 | 5.215 | 3810.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 240.0 | nM | 6.62 | Antileishmanial activity against Leishmania donovani LdBOB derived from MHOM/SD/... | 34531949 |
| Leishmania donovani | IC50 | = | 250.0 | nM | 6.6 | Antileishmanial activity against Leishmania donovani LdBOB derived from MHOM/SD/... | 34531949 |
| Leishmania donovani | IC50 | = | 1120.0 | nM | 5.95 | Antileishmanial activity against wild type Leishmania donovani promastigotes inc... | 34531949 |
| Leishmania infantum | IC50 | = | 3450.0 | nM | 5.46 | Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP-263 promas... | 34531949 |
| Leishmania amazonensis | IC50 | = | 3810.0 | nM | 5.42 | Antileishmanial activity against intracellular Leishmania amazonensis MHOM/BR/77... | 34531949 |
| Leishmania amazonensis | IC50 | = | 9720.0 | nM | 5.01 | Antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB 0016 prom... | 34531949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Leishmania donovani | 3 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Unchecked | 3 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Peritoneal macrophage | 2 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Leishmania amazonensis | 2 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Leishmania infantum | 2 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | No relevant target | 1 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine