Compound Detail
CHEMBL6055703
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O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)OCc1cc2ccccc2o1
Basic Information
| ChEMBL ID | CHEMBL6055703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWZJPLIVZNKLDQ-AFARHQOCSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
518.7
MW (Da)
6.04
ALogP
7
HBA
1
HBD
70.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.58 | 8.435 | 2.6 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.24 | 8.24 | 5.7 | 2 |
| Unchecked CHEMBL612545 | Ki | 8.19 | 8.19 | 6.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.58 | nM | 8.59 | 5-HT2A Receptor Binding Test: 1. Experimental Materials(1) 5-HT2A Cell Transfect... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.63 | nM | 8.58 | 5-HT1A Receptor Binding Test: 1. Experimental Materials:The isotopic ligand of 5... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 5.14 | nM | 8.29 | 5-HT1A Receptor Binding Test: 1. Experimental Materials:The isotopic ligand of 5... | - |
| D(2) dopamine receptor | Ki | = | 5.73 | nM | 8.24 | Receptor Binding Test: 1. Experimental Materials:(1) D2 receptor Cell Transfecti... | - |
| D(2) dopamine receptor | Ki | = | 5.73 | nM | 8.24 | Receptor Binding Test: 1. Experimental Materials:(1) D2 receptor Cell Transfecti... | - |
| Unchecked | Ki | = | 6.53 | nM | 8.19 | Dopamine D3 Receptor Binding Test: The experiment is carried out by the method a... | - |
| Unchecked | Ki | = | 6.53 | nM | 8.19 | Dopamine D3 Receptor Binding Test: The experiment is carried out by the method a... | - |
Data from ChEMBL 36 via Core Engine