Compound Detail
CHEMBL31907
CETABEN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL31907 |
| Name | CETABEN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | QXWKHSSBFQDQPR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
3
Known Names
Molecular Properties
361.6
MW (Da)
7.28
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.43 | 6.43 | 367.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 367.3 | nM | 6.43 | PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6604817 | 10.1021/jm00364a010 | Rattus norvegicus | 6 |
| 6604816 | 10.1021/jm00364a009 | Rattus norvegicus | 6 |
| 6604818 | 10.1021/jm00364a011 | Rattus norvegicus | 6 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 6604817 | 10.1021/jm00364a010 | Sterol O-acyltransferase 1 | 1 |
| 6604816 | 10.1021/jm00364a009 | Sterol O-acyltransferase 1 | 1 |
| 6604818 | 10.1021/jm00364a011 | Sterol O-acyltransferase 1 | 1 |
| 22365411 | 10.1016/j.ejmech.2012.02.010 | Rotavirus | 1 |
| 22365411 | 10.1016/j.ejmech.2012.02.010 | ADMET | 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