Compound Detail
CHEMBL1808924
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CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1
Basic Information
| ChEMBL ID | CHEMBL1808924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKHDGGZQLGNMKG-KLJDGLGGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
679.8
MW (Da)
-0.35
ALogP
7
HBA
11
HBD
283.3
PSA (Ų)
0.05
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 6.62 | 6.62 | 238.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 238.0 | nM | 6.62 | Inhibition of recombinant human furin expressed in CHO cells using pyroGlu- Arg-... | 21757345 |
| Furin | Ki | = | 238.0 | nM | 6.62 | Inhibition of furin (unknown origin) | 34340303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21757345 | 10.1016/j.bmcl.2011.06.091 | Furin | 1 |
| 34340303 | 10.1021/acs.jmedchem.1c00518 | Furin | 1 |
Data from ChEMBL 36 via Core Engine