Compound Detail
CHEMBL39317
L-694247 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL39317 |
| Name | L-694247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKXMQLISPYELRD-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
2.68
ALogP
6
HBA
3
HBD
126.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.5
EC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL4105 | IC50 | 9.5 | 9.5 | 0.3 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 8.5 | 8.5 | 3.2 | 1 |
| Oryctolagus cuniculus CHEMBL374 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 0.3162 | nM | 9.5 | Binding activity against 5-hydroxytryptamine 1D receptor from pig caudate membra... | 7752204 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 0.3162 | nM | 9.5 | Displacement of radioligand [3H]5-HT binding to 5-hydroxytryptamine 1D receptor ... | 8496922 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 3.162 | nM | 8.5 | Displacement of [3H]8-OH-DPAT from pig cortex 5-hydroxytryptamine 1A receptor | 8496922 |
| Oryctolagus cuniculus | EC50 | = | 15.85 | nM | 7.8 | Serotonergic activity was assessed in vitro on the New Zealand white rabbit saph... | 8496922 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 316.23 | nM | 6.5 | Displacement of [3H]mesulergine from pig cortex 5-hydroxytryptamine 1C receptor | 8496922 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 316.23 | nM | 6.5 | isplacement of [3H]DOB from rat cortex homogenate 5-hydroxytryptamine 2 receptor | 8496922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496922 | 10.1021/jm00063a003 | Oryctolagus cuniculus | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 7752204 | 10.1021/jm00010a025 | 5-hydroxytryptamine receptor 1D | 1 |
| 7752204 | 10.1021/jm00010a025 | No relevant target | 1 |
| 8496922 | 10.1021/jm00063a003 | 5-hydroxytryptamine receptor 1D | 1 |
| 8496922 | 10.1021/jm00063a003 | No relevant target | 1 |
| 8496922 | 10.1021/jm00063a003 | 5-hydroxytryptamine receptor 1A | 1 |
| 8496922 | 10.1021/jm00063a003 | 5-hydroxytryptamine receptor 2C | 1 |
| 8496922 | 10.1021/jm00063a003 | Serotonin 2 (5-HT2) receptor | 1 |
| 8496922 | 10.1021/jm00063a003 | Serotonin 3 (5-HT3) receptor | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine