Compound Detail
CHEMBL1124
DEALKYLATED DIETHYLPROPION Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1124 |
| Name | DEALKYLATED DIETHYLPROPION |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUAQLLVFLMYYJJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
1
Known Names
Molecular Properties
149.2
MW (Da)
1.22
ALogP
2
HBA
1
HBD
43.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin (5-HT) receptor CHEMBL2094123 | Kd | 5.86 | 5.6533 | 1380.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin (5-HT) receptor | Kd | = | 1380.38 | nM | 5.86 | Affinity for 5-hydroxytryptamine receptor was determined using male Dawley rat f... | 7069716 |
| Serotonin (5-HT) receptor | Kd | = | 2818.38 | nM | 5.55 | Affinity against 5-hydroxytryptamine receptors in rat fundus model | 7365744 |
| Serotonin (5-HT) receptor | Kd | = | 2818.38 | nM | 5.55 | Affinity for 5-hydroxytryptamine receptor was determined using male Dawley rat f... | 7069716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7069716 | 10.1021/jm00346a012 | Serotonin (5-HT) receptor | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 7365744 | 10.1021/jm00177a017 | Serotonin (5-HT) receptor | 1 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine