Compound Detail
CHEMBL331558
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Basic Information
| ChEMBL ID | CHEMBL331558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDLLIYKVDWPHJI-TTZKSVMKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
0.72
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 73.0 | nM | 7.14 | Concentration required for 50% toxicity in metastatic lung carcinoma (MV522) cel... | 11000013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11000013 | 10.1021/jm0000315 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine