Compound Detail
CHEMBL2332988
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Basic Information
| ChEMBL ID | CHEMBL2332988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFJCDJQZSMAART-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
283.2
MW (Da)
2.38
ALogP
5
HBA
0
HBD
86.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.45
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 35600.0 | nM | 4.45 | Cytotoxicity against human HL60 cells assessed as cell viability after 72 hrs by... | 23454511 |
| J82 | IC50 | = | 62000.0 | nM | 4.21 | Cytotoxicity against human J82 cells assessed as cell viability after 72 hrs by ... | 23454511 |
| SK-MES-1 | IC50 | = | 78400.0 | nM | 4.11 | Cytotoxicity against human SKMES1 cells assessed as cell viability after 72 hrs ... | 23454511 |
| AGS | IC50 | = | 82500.0 | nM | 4.08 | Cytotoxicity against human AGS cells assessed as cell viability after 72 hrs by ... | 23454511 |
| MRC5 | IC50 | = | 95000.0 | nM | 4.02 | Cytotoxicity against human MRC5 cells assessed as cell viability after 72 hrs by... | 23454511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23454511 | 10.1016/j.ejmech.2013.01.049 | MRC5 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | AGS | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | SK-MES-1 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | J82 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine