Compound Detail
CHEMBL203856
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Cn1c(O)c(/N=N/C(=O)CCCCC(=O)/N=N/c2c(O)n(C)c3ccccc23)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL203856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBGBOWNXAJAQEC-NBHCHVEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
5.56
ALogP
8
HBA
2
HBD
133.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Falcipain 2 CHEMBL5800 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Falcipain 2 | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of falcipain2 | 16509575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509575 | 10.1021/jm0505765 | Falcipain 2 | 1 |
| 16509575 | 10.1021/jm0505765 | Cysteine protease falcipain-3 | 1 |
Data from ChEMBL 36 via Core Engine