Compound Detail
CHEMBL2114412
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Basic Information
| ChEMBL ID | CHEMBL2114412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSJPEVJQGCGHHE-QDSMGTAFSA-N |
| Parent Compound | CHEMBL2219801 |
| Active Moiety | CHEMBL2219801 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
1.23
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Kd | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Kd | = | 7.079 | nM | 8.15 | In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-indu... | 1578478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1578478 | 10.1021/jm00087a003 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine