Compound Detail
CHEMBL1614813
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N/C(=N\c1ccc(-c2ccc(-c3ccc(/N=C(\N)c4ccccn4)cc3OC3CCNCC3)o2)c(OC2CCNCC2)c1)c1ccccn1
Basic Information
| ChEMBL ID | CHEMBL1614813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOPMAKJQIUYLIW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
656.8
MW (Da)
5.74
ALogP
9
HBA
4
HBD
158.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 59000.0 | nM | 4.23 | Antileishmanial activity against Leishmania donovani axenic amastigotes after 3 ... | 21741248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21741248 | 10.1016/j.bmc.2011.06.026 | Leishmania donovani | 1 |
| 21741248 | 10.1016/j.bmc.2011.06.026 | Leishmania amazonensis | 1 |
Data from ChEMBL 36 via Core Engine