Compound Detail
CHEMBL107199
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CN(CCCN1C(=O)C[S+]([O-])C1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2
Basic Information
| ChEMBL ID | CHEMBL107199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHUKHGHJLUPUAN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
558.7
MW (Da)
4.71
ALogP
7
HBA
1
HBD
94.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 790.0 | nM | 6.1 | Compound was tested in vitro for [Ca2+] antagonistic activity in K+-depolarized ... | 10447958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10447958 | 10.1021/jm9900927 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine