Compound Detail
CHEMBL1808913
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CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1
Basic Information
| ChEMBL ID | CHEMBL1808913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGNVTEYUMOULHZ-GSDHBNRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
710.9
MW (Da)
-0.44
ALogP
8
HBA
12
HBD
290.1
PSA (Ų)
0.04
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 8.01 | 8.01 | 9.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 9.7 | nM | 8.01 | Inhibition of recombinant human furin expressed in CHO cells using pyroGlu- Arg-... | 21757345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21757345 | 10.1016/j.bmcl.2011.06.091 | Furin | 1 |
Data from ChEMBL 36 via Core Engine