Compound Detail
CHEMBL66804
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Basic Information
| ChEMBL ID | CHEMBL66804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZSVINSPKHCNDD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
280.2
MW (Da)
2.71
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 18700.0 | nM | 4.73 | The compound was evaluated for the cytotoxicity against BALB/c 3T3 mouse fibrobl... | 1597864 |
| CHO | IC50 | = | 90000.0 | nM | 4.05 | The compound was evaluated for the cytotoxicity against CHO cells under hypoxic ... | 1597864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063612 | 10.1021/jm9904957 | Rattus norvegicus | 7 |
| 11063612 | 10.1021/jm9904957 | NON-PROTEIN TARGET | 2 |
| 1597864 | 10.1021/jm00089a027 | CHO | 2 |
| 11063612 | 10.1021/jm9904957 | Unchecked | 1 |
| 1597864 | 10.1021/jm00089a027 | ADMET | 1 |
| 1597864 | 10.1021/jm00089a027 | Mus musculus | 1 |
| 1597864 | 10.1021/jm00089a027 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine