Compound Detail
CHEMBL435585
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Basic Information
| ChEMBL ID | CHEMBL435585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKCOOJZUUOHZDF-SFHVURJKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
2.27
ALogP
6
HBA
3
HBD
125.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Ki 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Kallikrein-6 CHEMBL4448 | IC50 | 5.11 | 5.11 | 7750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 220.0 | nM | 6.66 | Compound was evaluated for the inhibition of human Coagulation factor Xa | 10479288 |
| Kallikrein-6 | IC50 | = | 7750.0 | nM | 5.11 | Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus... | 24900446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479288 | 10.1021/jm990040h | Coagulation factor X | 1 |
| 24900446 | 10.1021/ml200291e | Kallikrein-6 | 1 |
Data from ChEMBL 36 via Core Engine