Compound Detail
CHEMBL341869
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Basic Information
| ChEMBL ID | CHEMBL341869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HULWBTQKMAITBJ-XVFCMESISA-N |
5
Targets
11
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
258.2
MW (Da)
-2.58
ALogP
9
HBA
5
HBD
142.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.39 | 5.39 | 4030.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.16 | 5.16 | 6910.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.83 | 4.83 | 14900.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 4.55 | 4.55 | 28200.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.22 | 4.22 | 60500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 4030.0 | nM | 5.39 | Compound was tested for inhibitory activity against the in vitro growth of Murin... | 9836625 |
| MCF7 | IC50 | = | 6910.0 | nM | 5.16 | Compound was tested in vitro for cytotoxicity against MCF-7 cell lines from Mamm... | 9836625 |
| K562 | IC50 | = | 14900.0 | nM | 4.83 | Compound was tested in vitro for cytotoxicity against K562 cell lines from chron... | 9836625 |
| A-375 | IC50 | = | 28200.0 | nM | 4.55 | Compound was tested in vitro for cytotoxicity against A375 cell lines from melan... | 9836625 |
| MIA PaCa-2 | IC50 | = | 60500.0 | nM | 4.22 | Compound was tested in vitro for cytotoxicity against MiaPaCa-2 cell lines from ... | 9836625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836625 | 10.1021/jm980466g | Mus musculus | 4 |
| 9836625 | 10.1021/jm980466g | L1210 | 1 |
| 9836625 | 10.1021/jm980466g | KB | 1 |
| 9836625 | 10.1021/jm980466g | K562 | 1 |
| 9836625 | 10.1021/jm980466g | HL-60 | 1 |
| 9836625 | 10.1021/jm980466g | CCRF-CEM | 1 |
| 9836625 | 10.1021/jm980466g | COLO 320DM | 1 |
| 9836625 | 10.1021/jm980466g | MIA PaCa-2 | 1 |
| 9836625 | 10.1021/jm980466g | PANC-1 | 1 |
| 9836625 | 10.1021/jm980466g | HT-1080 | 1 |
| 9836625 | 10.1021/jm980466g | MCF7 | 1 |
| 9836625 | 10.1021/jm980466g | A-375 | 1 |
| 9836625 | 10.1021/jm980466g | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine