Compound Detail
CHEMBL436040
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Cc1ccc2c(c1)[C@H](NC(=O)CCCN1CCN(c3ccc(F)cc3)CC1)[C@@H]1CCCC[C@H]1CS2
Basic Information
| ChEMBL ID | CHEMBL436040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZXRXKYEWBFEDP-OMRWSRCMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.7
MW (Da)
5.81
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 6.85 | 6.85 | 141.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 141.25 | nM | 6.85 | Calcium antagonistic activity assessed against calcium-induced constriction of p... | 1995882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995882 | 10.1021/jm00106a019 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine