Compound Detail
CHEMBL5901116
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Basic Information
| ChEMBL ID | CHEMBL5901116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTTSYZXFIDUWLV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
4.17
ALogP
6
HBA
1
HBD
102.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 7.39 | 7.39 | 41.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | EC50 | = | 41.0 | nM | 7.39 | Transactivation assays: Transcriptional transactivation assays were performed wi... | - |
| Retinoic acid receptor gamma | EC50 | = | 140.0 | nM | 6.85 | Transactivation assays: Transcriptional transactivation assays were performed wi... | - |
| Retinoic acid receptor alpha | EC50 | = | 150.0 | nM | 6.82 | Transactivation assays: Transcriptional transactivation assays were performed wi... | - |
Data from ChEMBL 36 via Core Engine