Compound Detail
CHEMBL40935
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Basic Information
| ChEMBL ID | CHEMBL40935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTILZHPHHLGRGH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.38
ALogP
4
HBA
1
HBD
62.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Kd | 9.8 | 9.8 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Kd | = | 0.1585 | nM | 9.8 | Potency at neuronal 5-hydroxytryptamine 3 receptors in the rabbit heart | 2342053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2342053 | 10.1021/jm00168a011 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine