Compound Detail
CHEMBL3900409
BRENSOCATIB 🧪 Phase III
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase III
Cn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4CNCCCO4)cc3)cc21
Basic Information
| ChEMBL ID | CHEMBL3900409 |
| Name | BRENSOCATIB |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | AEXFXNFMSAAELR-RXVVDRJESA-N |
5
Targets
24
Activities
2
Assay Types
14
PK Parameters
20
Publications
6
Known Names
5
Indications
1
Mechanisms
Molecular Properties
420.5
MW (Da)
1.73
ALogP
7
HBA
2
HBD
109.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Dipeptidyl peptidase I inhibitor | INHIBITOR | Dipeptidyl peptidase 1 | ✓ | ✓ |
Indications
Bronchiectasis Severe Acute Respiratory Syndrome Cystic Fibrosis Kidney Diseases Liver Diseases
Activity Summary
IC50 23 meas. best 8.4
Kd 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 CHEMBL2252 | Kd | 8.6 | 8.6 | 2.5 | 1 |
| Dipeptidyl peptidase 1 CHEMBL2252 | IC50 | 8.4 | 7.8932 | 4.0 | 19 |
| Dipeptidyl peptidase 1 CHEMBL3879833 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
| Dipeptidyl peptidase 1 CHEMBL3308944 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
| Dipeptidyl peptidase 1 CHEMBL3454 | IC50 | 7.6 | 7.6 | 25.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 7.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 8.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 1.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 75.0 | % | Rattus norvegicus |
| F | 92.0 | % | Canis lupus familiaris |
| F | 30.0 | % | Rattus norvegicus |
| T1/2 | 50.0 | hr | - |
| T1/2 | 5.0 | hr | Rattus norvegicus |
| T1/2 | 18.0 | hr | Canis lupus familiaris |
| T1/2 | 0.05 | hr | Homo sapiens |
| T1/2 | 7.0 | hr | Rattus norvegicus |
| T1/2 | 15.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine