Compound Detail
CHEMBL543171
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Basic Information
| ChEMBL ID | CHEMBL543171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGOHUYYQRMZULY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191996 |
| Active Moiety | CHEMBL1191996 |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
235.4
MW (Da)
1.49
ALogP
3
HBA
3
HBD
50.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3LL cell line CHEMBL612910 | IC50 | 5.03 | 4.82 | 9300.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3LL cell line | IC50 | = | 9300.0 | nM | 5.03 | Effect on the growth of 3LL cells was evaluated using an MTT assay at 72 hour in... | 11606130 |
| 3LL cell line | IC50 | = | 11900.0 | nM | 4.92 | Effect on the growth of 3LL cells by DFMO pretreatment at 48 hr incubation | 11606130 |
| 3LL cell line | IC50 | = | 31000.0 | nM | 4.51 | Effect on the growth of 3LL cells was evaluated using an MTT assay at 48 hour in... | 11606130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11606130 | 10.1021/jm010897q | 3LL cell line | 8 |
| 11606130 | 10.1021/jm010897q | Nucleic Acid | 1 |
| 11606130 | 10.1021/jm010897q | CHO | 1 |
| 11606130 | 10.1021/jm010897q | CHO-MG | 1 |
Data from ChEMBL 36 via Core Engine