Compound Detail
CHEMBL4278465
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OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4278465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVRMQFHSOSVJET-UHFFFAOYSA-N |
22
Targets
28
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
539.0
MW (Da)
7.54
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 19 meas. best 6.34
IC50 9 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.34 | 6.34 | 458.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.29 | 6.29 | 509.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.26 | 6.26 | 550.0 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 6.13 | 6.13 | 744.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.11 | 6.11 | 782.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.09 | 6.09 | 812.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.97 | 5.97 | 1074.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.96 | 5.96 | 1094.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.95 | 5.95 | 1126.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.78 | 5.78 | 1670.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 5.38 | 5.38 | 4152.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.22 | 5.22 | 6059.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 5.19 | 5.0167 | 6400.0 | 3 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 5.09 | 5.01 | 8200.0 | 3 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.04 | 4.9767 | 9200.0 | 3 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine