Compound Detail
CHEMBL3582461
MSD-CYP11B2-Negative-control Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL3582461 |
| Name | MSD-CYP11B2-Negative-control |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNBRMUYDOIRYOA-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
4.45
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.97 | 5.97 | 1071.5 | 3 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.51 | 5.51 | 3060.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 1073.0 | nM | 5.97 | GPCRScan assay: inhibition of 5-HT2B | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 1071.52 | nM | 5.97 | GPCRScan assay: inhibition of 5-HT2B | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 1073.0 | nM | 5.97 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000733a HTR2B | - |
| 5-hydroxytryptamine receptor 6 | Ki | = | 3060.55 | nM | 5.51 | GPCRScan assay: inhibition of 5-HT6 | - |
| 5-hydroxytryptamine receptor 6 | Ki | = | 3090.3 | nM | 5.51 | GPCRScan assay: inhibition of 5-HT6 | - |
| 5-hydroxytryptamine receptor 6 | Ki | = | 3061.0 | nM | 5.51 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000733a HTR6 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4507294 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507294 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507294 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4507294 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4507294 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4507294 | Unchecked | 8 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507294 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507294 | ALK tyrosine kinase receptor | 3 |
| - | 10.6019/CHEMBL4507294 | 5-hydroxytryptamine receptor 2B | 3 |
| - | 10.6019/CHEMBL4507294 | Hepatocyte growth factor receptor | 3 |
| - | 10.6019/CHEMBL4507294 | 5-hydroxytryptamine receptor 6 | 3 |
| - | 10.6019/CHEMBL4507294 | Ribosomal protein S6 kinase alpha-1 | 2 |
| - | 10.6019/CHEMBL4507294 | Ribosomal protein S6 kinase alpha-5 | 2 |
| - | 10.6019/CHEMBL4507294 | Ribosomal protein S6 kinase alpha-2 | 2 |
| - | 10.6019/CHEMBL4507294 | Ribosomal protein S6 kinase alpha-4 | 2 |
| - | 10.6019/CHEMBL4507294 | Ribosomal protein S6 kinase alpha-3 | 2 |
Data from ChEMBL 36 via Core Engine