Compound Detail
CHEMBL4750900
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
CC(C)(C)[C@H](NC(=O)[C@H](CCONC(=N)N)NC(=O)Cc1ccc(CN)cc1)C(=O)N[C@@H](CCONC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1
Basic Information
| ChEMBL ID | CHEMBL4750900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXQQPTQVCYRYNF-KYPHJKQUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
725.9
MW (Da)
-1.60
ALogP
10
HBA
13
HBD
334.6
PSA (Ų)
0.03
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 10.47 | 10.47 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 0.0342 | nM | 10.47 | Inhibition of recombinant soluble human furin using Phac-Arg-Val-Arg-Arg-AMC flu... | 33732412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33732412 | 10.1021/acsmedchemlett.0c00651 | Furin | 1 |
Data from ChEMBL 36 via Core Engine