Compound Detail
CHEMBL82340
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Basic Information
| ChEMBL ID | CHEMBL82340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUCGLLBESSPTTP-QMMMGPOBSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
1.05
ALogP
4
HBA
0
HBD
50.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.66
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 22000.0 | nM | 4.66 | Tested in vitro for inhibition after 48 hr exposure against murine leukemia cell... | 7996544 |
| L1210 | IC50 | = | 22400.0 | nM | 4.65 | Antitumor activity was evaluated in vitro on a L1210 tumor cell line | - |
| LoVo | IC50 | = | 39000.0 | nM | 4.41 | Tested in vitro for inhibition after 144 hr against human colon carcinoma LoVo/D... | 7996544 |
| LoVo | IC50 | = | 42000.0 | nM | 4.38 | Tested in vitro for inhibition after 144 hr exposure against human colon carcino... | 7996544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7996544 | 10.1021/jm00051a009 | LoVo | 2 |
| 7996544 | 10.1021/jm00051a009 | L1210 | 1 |
| 7996544 | 10.1021/jm00051a009 | Unchecked | 1 |
| - | 10.1016/S0960-894X(01)80707-1 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine