Compound Detail
CHEMBL2323578
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C=CCN1C[C@H](C(=O)N(CCCN2CCOCC2)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
Basic Information
| ChEMBL ID | CHEMBL2323578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIVLQJIZLYGZTG-GZGNHOFSSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
2.96
ALogP
5
HBA
2
HBD
80.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.89
Ki 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.15 | 8.15 | 7.1 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 7.1 | nM | 8.15 | Displacement of [125I](+/-)DOI from human 5-HT2B receptor transfected in CHO cel... | 23606928 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at human 5-HT2B receptor transfected in CHO cell assessed as IP... | 23606928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23606928 | 10.1021/ml3003814 | 5-hydroxytryptamine receptor 2B | 3 |
Data from ChEMBL 36 via Core Engine