Compound Detail
CHEMBL555195
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Basic Information
| ChEMBL ID | CHEMBL555195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZWNRFAUDBWSKY-QNQPVOBRSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
4.01
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.42
Ki 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.18 | 5.18 | 6530.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.42 | 4.42 | 38500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 6530.0 | nM | 5.18 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells afte... | 20363635 |
| ADMET | IC50 | = | 38500.0 | nM | 4.42 | Cytotoxicity against rat RBL2H3 cells after 12 hrs by MTT assay | 19271742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19271742 | 10.1021/np800555y | RBL-2H3 | 9 |
| 20363635 | 10.1016/j.bmc.2010.02.062 | 5-hydroxytryptamine receptor 1A | 6 |
| 19271742 | 10.1021/np800555y | ADMET | 1 |
| 20363635 | 10.1016/j.bmc.2010.02.062 | ATP-dependent translocase ABCB1 | 1 |
| 28231520 | 10.1016/j.ejmech.2017.02.005 | Rodentolepis nana | 1 |
Data from ChEMBL 36 via Core Engine