Compound Detail
CHEMBL136524
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Basic Information
| ChEMBL ID | CHEMBL136524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLPRDDNKQPOZJH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
1.77
ALogP
5
HBA
0
HBD
36.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.14
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | EC50 | 8.14 | 8.14 | 7.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 5.2 | nM | 8.28 | Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortica... | 10543880 |
| Serotonin 3 (5-HT3) receptor | EC50 | = | 7.2 | nM | 8.14 | Effective concentration against 5-Hydroxytryptamine 3 receptor by measuring [14C... | 10543880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10543880 | 10.1021/jm990151g | Serotonin 3 (5-HT3) receptor | 2 |
| 10543880 | 10.1021/jm990151g | NG108-15 | 1 |
Data from ChEMBL 36 via Core Engine