Compound Detail
CHEMBL537017
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Br.CCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCN(CC)C(=O)CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)N(CC)CCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCC)c5C)C(S(=O)(=O)O)=C4C)c(S(=O)(=O)O)c3C
Basic Information
| ChEMBL ID | CHEMBL537017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGHNQIBTYHEILA-UAGRBDHGSA-N |
| Parent Compound | CHEMBL1188678 |
| Active Moiety | CHEMBL1188678 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
2061.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | EC50 | = | 700.0 | nM | 6.16 | Antiproliferative activity against Leishmania donovani DI700 promastigotes | 17116678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17116678 | 10.1128/aac.01193-06 | Leishmania donovani | 2 |
Data from ChEMBL 36 via Core Engine