Compound Detail
CHEMBL2107510
ADATANSERIN HYDROCHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2107510 |
| Name | ADATANSERIN HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPHCXMVJHQJEAK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2111138 |
| Active Moiety | CHEMBL2111138 |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
5
Known Names
Molecular Properties
369.5
MW (Da)
1.93
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 7.47
EC50 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 8.68 | 8.68 | 2.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.47 | 7.47 | 33.7 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.9 | 5.9 | 1261.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | EC50 | = | 2.1 | nM | 8.68 | Partial agonist activity at recombinant human 5-HT1A expressed in CHO-K1 cells b... | 32631554 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 33.7 | nM | 7.47 | Antagonist activity at recombinant human 5-HT2A expressed in human U2OS cells by... | 32631554 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 1261.0 | nM | 5.9 | Antagonist activity at recombinant human 5-HT2C expressed in human U2OS cells by... | 32631554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32631554 | 10.1016/j.bmcl.2020.127358 | 5-hydroxytryptamine receptor 1A | 2 |
| 32631554 | 10.1016/j.bmcl.2020.127358 | 5-hydroxytryptamine receptor 2C | 1 |
| 32631554 | 10.1016/j.bmcl.2020.127358 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine