Compound Detail
CHEMBL1085100
DIBENZO[B,F][1,4]OXAZEPINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1085100 |
| Name | DIBENZO[B,F][1,4]OXAZEPINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPUACKRELIJTFM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
3.54
ALogP
2
HBA
0
HBD
21.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 9.52 | 8.5167 | 0.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 0.302 | nM | 9.52 | Activation of human TRPA1 channel | 20356305 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 0.3 | nM | 9.52 | Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as incr... | 20806939 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 308.0 | nM | 6.51 | Activation of human TRPA1 channel | 20356305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20806939 | 10.1021/jm100477n | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 20356305 | 10.1021/jm100062h | Transient receptor potential cation channel subfamily A member 1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 20806939 | 10.1021/jm100477n | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 20806939 | 10.1021/jm100477n | Transient receptor potential cation channel subfamily M member 8 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine