Compound Detail
CHEMBL3298978
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Basic Information
| ChEMBL ID | CHEMBL3298978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKJPKVBEQWYWAZ-GYAIJENASA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
467.1
MW (Da)
0.62
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.32 | 4.32 | 48200.0 | 1 |
| HeLa CHEMBL399 | EC50 | 4.06 | 4.06 | 86700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 48200.0 | nM | 4.32 | Antitumor activity against CLL2 cells isolated from CLL patient assessed as cell... | 24673739 |
| HeLa | EC50 | = | 86700.0 | nM | 4.06 | Antitumor activity against human HeLa cells assessed as cell viability by MTT as... | 24673739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24673739 | 10.1021/jm4016922 | NON-PROTEIN TARGET | 3 |
| 24673739 | 10.1021/jm4016922 | HeLa | 1 |
| 26951751 | 10.1016/j.bmcl.2016.02.051 | NON-PROTEIN TARGET | 1 |
| 26951751 | 10.1016/j.bmcl.2016.02.051 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine