Compound Detail
CHEMBL403417
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 | CHEMBL403417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNKQYHGHLATYSN-LRRSEIGYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
448.8
MW (Da)
9.09
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.13
QED
1
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 14000.0 | nM | 4.85 | Antileishmanial activity against Leishmania amazonensis IFLA/BR/67 promastigotes... | 18024033 |
| Leishmania braziliensis | IC50 | = | 14000.0 | nM | 4.85 | Antileishmanial activity against Leishmania braziliensis MHOM/BR/75/M2903 promas... | 18024033 |
| Leishmania donovani | IC50 | = | 17400.0 | nM | 4.76 | Antileishmanial activity against Leishmania donovani MHOM/BR/74/PP75 promastigot... | 18024033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18024033 | 10.1016/j.bmcl.2007.10.102 | Leishmania amazonensis | 1 |
| 18024033 | 10.1016/j.bmcl.2007.10.102 | Leishmania braziliensis | 1 |
| 18024033 | 10.1016/j.bmcl.2007.10.102 | Leishmania donovani | 1 |
| 18024033 | 10.1016/j.bmcl.2007.10.102 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine