Compound Detail
CHEMBL1829014
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Basic Information
| ChEMBL ID | CHEMBL1829014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYBVUMVMMXWTJQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
4.05
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.22 | 4.22 | 60100.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.19 | 4.19 | 65100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 60100.0 | nM | 4.22 | Antiproliferative activity against human HepG2 cells after 24 hrs by MTT assay | 21853991 |
| NON-PROTEIN TARGET | IC50 | = | 65100.0 | nM | 4.19 | Antiproliferative activity against mouse LL/2 cells after 24 hrs by MTT assay | 21853991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21853991 | 10.1021/jm200830u | HUVEC | 1 |
| 21853991 | 10.1021/jm200830u | A549 | 1 |
| 21853991 | 10.1021/jm200830u | HepG2 | 1 |
| 21853991 | 10.1021/jm200830u | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine