Compound Detail
CHEMBL432713
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O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccc(O)cc23)CC1
Basic Information
| ChEMBL ID | CHEMBL432713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBRLVMQBZIFWTB-WEVVVXLNSA-N |
13
Targets
33
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
6.36
ALogP
3
HBA
3
HBD
68.4
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 32 meas. best 8.5
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | Ki | 8.5 | 8.5 | 3.2 | 1 |
| 5-hydroxytryptamine receptor 1E CHEMBL2182 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| C-C chemokine receptor type 2 CHEMBL4015 | Ki | 7.78 | 6.827 | 16.6 | 20 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| C-C chemokine receptor type 5 CHEMBL274 | Ki | 5.37 | 5.37 | 4260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine