Compound Detail
CHEMBL345733
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CNS(=O)(=O)N1CCN(C2CN(CCC3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1
Basic Information
| ChEMBL ID | CHEMBL345733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUDCITKDCFGXAF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
558.6
MW (Da)
2.42
ALogP
5
HBA
1
HBD
76.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | Kd | 8.5 | 8.5 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Kd | = | 3.162 | nM | 8.5 | Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary arter... | 12431064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431064 | 10.1021/jm0209331 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine