Compound Detail
CHEMBL408894
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Basic Information
| ChEMBL ID | CHEMBL408894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOEZGUXMWHYVJQ-CMDGGOBGSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
3.52
ALogP
6
HBA
0
HBD
87.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.61 | 5.61 | 2430.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.53 | 4.53 | 29700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 2430.0 | nM | 5.61 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells | 17988874 |
| HepG2 | IC50 | = | 7900.0 | nM | 5.1 | Cytotoxicity against human HepG2 cells assessed as inhibition of cell proliferat... | 25629304 |
| HeLa | IC50 | = | 9000.0 | nM | 5.05 | Cytotoxicity against human HeLa cells assessed as inhibition of cell proliferati... | 25629304 |
| A549 | IC50 | = | 10700.0 | nM | 4.97 | Cytotoxicity against human A549 cells assessed as inhibition of cell proliferati... | 25629304 |
| Leishmania braziliensis | IC50 | = | 29700.0 | nM | 4.53 | Antileishmanial activity against promastigotes form of Leishmania braziliensis M... | 21757358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17988874 | 10.1016/j.bmc.2007.10.039 | RAW264.7 | 2 |
| 21539383 | 10.1021/jm2002348 | Nuclear factor erythroid 2-related factor 2 | 2 |
| 21757358 | 10.1016/j.bmc.2011.06.023 | Leishmania braziliensis | 1 |
| 21757358 | 10.1016/j.bmc.2011.06.023 | Vero | 1 |
| 21757358 | 10.1016/j.bmc.2011.06.023 | Unchecked | 1 |
| 25629304 | 10.1021/jm5016507 | HeLa | 1 |
| 25629304 | 10.1021/jm5016507 | A549 | 1 |
| 25629304 | 10.1021/jm5016507 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine