Compound Detail
CHEMBL4794635
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CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCONC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1
Basic Information
| ChEMBL ID | CHEMBL4794635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOPLYSHEGWJXSB-OHSXHVKISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
765.9
MW (Da)
-1.62
ALogP
9
HBA
15
HBD
361.2
PSA (Ų)
0.03
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 10.88 | 10.88 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 0.0131 | nM | 10.88 | 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