Compound Detail
CHEMBL24909
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Basic Information
| ChEMBL ID | CHEMBL24909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYHKGNWKJMGHGE-UHFFFAOYSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
3.35
ALogP
6
HBA
0
HBD
37.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.58
IC50 1 meas. best 6.02
Kd 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.58 | 6.58 | 263.0 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 6.5 | 6.5 | 316.2 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 263.03 | nM | 6.58 | Agonist potency in rat isolated esophageal tunica muscularis mucose. | 8176710 |
| Cavia porcellus | Kd | = | 316.23 | nM | 6.5 | The compound was evaluated for the pA2 value that was estimated using 2-methyl-5... | 8176710 |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 950.0 | nM | 6.02 | Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor | 8176710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8176710 | 10.1021/jm00035a012 | Rattus norvegicus | 6 |
| 8176710 | 10.1021/jm00035a012 | Cavia porcellus | 2 |
| 8176710 | 10.1021/jm00035a012 | Serotonin 3 (5-HT3) receptor | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 8176710 | 10.1021/jm00035a012 | Serotonin 1 (5-HT1) receptor | 1 |
| 8176710 | 10.1021/jm00035a012 | D(2) dopamine receptor | 1 |
| 8176710 | 10.1021/jm00035a012 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine