Compound Detail
CHEMBL3989943
DAPANSUTRILE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL3989943 |
| Name | DAPANSUTRILE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LQFRYKBDZNPJSW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
7
Publications
4
Known Names
6
Indications
1
Mechanisms
Molecular Properties
133.2
MW (Da)
-0.06
ALogP
3
HBA
0
HBD
57.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 inhibitor | INHIBITOR | NACHT, LRR and PYD domains-containing protein 3 | ✓ | ✓ |
Indications
Diabetes Mellitus, Type 2 Schnitzler Syndrome Severe Acute Respiratory Syndrome Heart Failure, Systolic Melanoma Myocardial Infarction
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 9.0 | 8.3333 | 1.0 | 3 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 311000.0 | nM | Homo sapiens |
| Cmax | 310880829.02 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774A.1 cells as... | 31699536 |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774.A1 cells as... | 33984476 |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of NLRP3 in mouse J774A.1 cells infected with FLA-ST assessed as inhi... | 33845232 |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of NLRP3 inflammasome in human MDM cells assessed as reduction in LPS... | 37639823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 31699536 | 10.1016/j.ejmech.2019.111822 | Homo sapiens | 1 |
| 31699536 | 10.1016/j.ejmech.2019.111822 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
| 33845232 | 10.1016/j.ejmech.2021.113417 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
| 33984476 | 10.1016/j.bmcl.2021.128101 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
| 37639823 | 10.1016/j.ejmech.2023.115750 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
| 37639823 | 10.1016/j.ejmech.2023.115750 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine