Compound Detail
CHEMBL200993
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Basic Information
| ChEMBL ID | CHEMBL200993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFAFBMJYAAHSML-DZGCQCFKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
3.22
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 6.85 | 6.805 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 140.0 | nM | 6.85 | Inhibitory activity against human Cathepsin K | 16451072 |
| Cathepsin K | IC50 | = | 172.0 | nM | 6.76 | Inhibitory activity against humanized rabbit Cathepsin K | 16451072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451072 | 10.1021/jm051059p | Cathepsin K | 2 |
| 16451072 | 10.1021/jm051059p | Cathepsin (L and K) | 1 |
| 16451072 | 10.1021/jm051059p | Cathepsin (B and K) | 1 |
| 16451072 | 10.1021/jm051059p | Cathepsin (S and K) | 1 |
Data from ChEMBL 36 via Core Engine