Compound Detail
CHEMBL5418015
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Basic Information
| ChEMBL ID | CHEMBL5418015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHTFLHRAFFVDBX-VCHYOVAHSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
1.81
ALogP
9
HBA
0
HBD
140.0
PSA (Ų)
0.25
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania major CHEMBL612879 | IC50 | 6.35 | 5.915 | 450.0 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.36 | 4.36 | 43900.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.28 | 4.28 | 52470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania major | IC50 | = | 450.0 | nM | 6.35 | Antileishmanial activity against Leishmania major IR-173 promastigotes assessed ... | 36516584 |
| Leishmania donovani | IC50 | = | 1010.0 | nM | 6.0 | Antileishmanial activity against Leishmania donovani 9515 amastigote infected in... | 36516584 |
| Leishmania major | IC50 | = | 3340.0 | nM | 5.48 | Antileishmanial activity against Leishmania major IR-173 amastigote infected in ... | 36516584 |
| HEK293 | IC50 | = | 43900.0 | nM | 4.36 | Cytotoxicity against HEK293 cells assessed as inhibition of cell growth incubate... | 36516584 |
| THP-1 | IC50 | = | 52470.0 | nM | 4.28 | Cytotoxicity against human THP-1 cells assessed as inhibition of cell growth inc... | 36516584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36516584 | 10.1016/j.ejmech.2022.115012 | ADMET | 3 |
| 36516584 | 10.1016/j.ejmech.2022.115012 | Leishmania donovani | 3 |
| 36516584 | 10.1016/j.ejmech.2022.115012 | Leishmania major | 3 |
| 36516584 | 10.1016/j.ejmech.2022.115012 | HEK293 | 1 |
| 36516584 | 10.1016/j.ejmech.2022.115012 | Vero | 1 |
| 36516584 | 10.1016/j.ejmech.2022.115012 | THP-1 | 1 |
| 36516584 | 10.1016/j.ejmech.2022.115012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine