Compound Detail
CHEMBL328628
DAVASAICIN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL328628 |
| Name | DAVASAICIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VVMIHZHLNJMAQP-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
5
Known Names
Molecular Properties
370.5
MW (Da)
2.94
ALogP
4
HBA
2
HBD
73.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 2 meas. best 6.03
EC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | EC50 | 6.23 | 6.23 | 589.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 6.03 | 5.94 | 930.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 589.0 | nM | 6.23 | Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake | 22796184 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 930.0 | nM | 6.03 | Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells | 22796184 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 1400.0 | nM | 5.85 | In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement. | 10571146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22796184 | 10.1016/j.bmcl.2012.06.059 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 10571146 | 10.1016/s0960-894x(99)00513-2 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 10571146 | 10.1016/s0960-894x(99)00513-2 | Vanilloid receptor | 1 |
Data from ChEMBL 36 via Core Engine