Compound Detail
CHEMBL154721
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O=C(CCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21
Basic Information
| ChEMBL ID | CHEMBL154721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDYVQERITORIJH-ZLZBJJAKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
522.7
MW (Da)
5.26
ALogP
6
HBA
1
HBD
78.7
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 7.72 | 7.72 | 19.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 19.05 | nM | 7.72 | 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