Compound Detail
CHEMBL393533
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COC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1
Basic Information
| ChEMBL ID | CHEMBL393533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRRBJEGZXRWZMH-DLBZAZTESA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
501.0
MW (Da)
2.53
ALogP
7
HBA
2
HBD
109.7
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.13 | 9.13 | 0.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | nmol/mg/min | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.74 | nM | 9.13 | Inhibition of human factor 10a | 17643988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17643988 | 10.1016/j.bmcl.2007.07.020 | Coagulation factor X | 1 |
| 17643988 | 10.1016/j.bmcl.2007.07.020 | Plasma | 1 |
| 17643988 | 10.1016/j.bmcl.2007.07.020 | Liver microsomes | 1 |
| 17643988 | 10.1016/j.bmcl.2007.07.020 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine