Compound Detail
CHEMBL1235644
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Basic Information
| ChEMBL ID | CHEMBL1235644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHGAZHPCJJPHSC-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
5.60
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 9.05 | 7.76 | 0.9 | 2 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 8.92 | 7.66 | 1.2 | 2 |
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 8.73 | 7.585 | 1.9 | 2 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.5 | 6.5 | 316.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | EC50 | = | 0.9 | nM | 9.05 | Transactivation assays: Transcriptional transactivation assays were performed wi... | - |
| Retinoic acid receptor alpha | EC50 | = | 1.2 | nM | 8.92 | Transactivation assays: Transcriptional transactivation assays were performed wi... | - |
| Retinoic acid receptor beta | EC50 | = | 1.88 | nM | 8.73 | Transactivation assays: Transcriptional transactivation assays were performed wi... | - |
| Retinoic acid receptor RXR-alpha | EC50 | = | 316.0 | nM | 6.5 | Retinoid Nuclear Receptor Activity: Retinoid nuclear receptor activity is associ... | - |
| Retinoic acid receptor gamma | EC50 | = | 340.0 | nM | 6.47 | Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... | - |
| Retinoic acid receptor beta | EC50 | = | 360.0 | nM | 6.44 | Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... | - |
| Retinoic acid receptor alpha | EC50 | = | 400.0 | nM | 6.4 | Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 8 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| - | 10.6019/CHEMBL5724696 | TERT-RPE1 | 4 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 3 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5665443 | N-glycosylase/DNA lyase | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease III-like protein 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine