Compound Detail
CHEMBL4797066
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4797066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSSRLBHGILGLTG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4804108 |
| Active Moiety | CHEMBL4804108 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
462.3
MW (Da)
7.78
ALogP
3
HBA
0
HBD
6.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.41 | 6.41 | 387.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.19 | 6.19 | 639.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.0 | 6.0 | 1003.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.91 | 5.91 | 1244.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 387.0 | nM | 6.41 | Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells | 32526553 |
| D(2) dopamine receptor | Ki | = | 639.0 | nM | 6.19 | Displacement of [3H]-Raclopride from human D2 receptor (unknown origin) expresse... | 32526553 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 1003.0 | nM | 6.0 | Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells | 32526553 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1244.0 | nM | 5.91 | Displacement of [3H]-Ketanserin from human 5HT2A receptor expressed in CHO-K1 ce... | 32526553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32526553 | 10.1016/j.ejmech.2020.112420 | Mycobacterium tuberculosis | 9 |
| 32526553 | 10.1016/j.ejmech.2020.112420 | Unchecked | 5 |
| 32526553 | 10.1016/j.ejmech.2020.112420 | Vero | 1 |
| 32526553 | 10.1016/j.ejmech.2020.112420 | D(2) dopamine receptor | 1 |
| 32526553 | 10.1016/j.ejmech.2020.112420 | 5-hydroxytryptamine receptor 2A | 1 |
| 32526553 | 10.1016/j.ejmech.2020.112420 | 5-hydroxytryptamine receptor 6 | 1 |
| 32526553 | 10.1016/j.ejmech.2020.112420 | 5-hydroxytryptamine receptor 7 | 1 |
| 32526553 | 10.1016/j.ejmech.2020.112420 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine