Compound Detail
CHEMBL204035
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Basic Information
| ChEMBL ID | CHEMBL204035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOXRXLHBQOFMGP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.8
MW (Da)
1.91
ALogP
7
HBA
2
HBD
106.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Falcipain 2 CHEMBL5800 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
| Cysteine protease falcipain-3 CHEMBL4510 | IC50 | 4.42 | 4.42 | 38500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Falcipain 2 | IC50 | = | 10800.0 | nM | 4.97 | Inhibition of falcipain2 | 16509575 |
| Cysteine protease falcipain-3 | IC50 | = | 38500.0 | nM | 4.42 | Inhibition of falcipain3 | 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