Compound Detail
CHEMBL4543737
Al11 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL4543737 |
| Name | Al11 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMOALODDFNHOCM-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
410.8
MW (Da)
3.44
ALogP
5
HBA
1
HBD
82.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.8 | 5.7767 | 1566.8 | 3 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 5.56 | 5.56 | 2746.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 1591.74 | nM | 5.8 | GPCRScan assay: inhibition of 5-HT2B | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 1566.75 | nM | 5.8 | GPCRScan assay: inhibition of 5-HT2B | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 1881.0 | nM | 5.73 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000710a HTR2B | - |
| GABA-A receptor; anion channel | Ki | = | 2746.0 | nM | 5.56 | GPCRScan assay: inhibition of GABAA/BZP | - |
| GABA-A receptor; anion channel | Ki | = | 2754.23 | nM | 5.56 | GPCRScan assay: inhibition of GABAA/BZP | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4689842 | U2OS | 10 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 10 |
| - | 10.6019/CHEMBL5724696 | U2OS | 8 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 8 |
| - | 10.6019/CHEMBL4507308 | Unchecked | 8 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507308 | GABA-A receptor; anion channel | 4 |
| - | 10.6019/CHEMBL4507308 | 5-hydroxytryptamine receptor 2B | 3 |
| - | 10.6019/CHEMBL4507308 | Delta-type opioid receptor | 1 |
| - | 10.6019/CHEMBL4507308 | Histamine H1 receptor | 1 |
| - | 10.6019/CHEMBL4507308 | Histamine H2 receptor | 1 |
| - | 10.6019/CHEMBL4507308 | Histamine H3 receptor | 1 |
| - | 10.1021/acschembio.2c00877 | Colon organoid | 1 |
| - | 10.6019/CHEMBL4507308 | 5-hydroxytryptamine receptor 5A | 1 |
| - | 10.6019/CHEMBL4507308 | 5-hydroxytryptamine receptor 3A | 1 |
| - | 10.6019/CHEMBL4507308 | Sodium-dependent serotonin transporter | 1 |
| - | 10.6019/CHEMBL4507308 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine