Compound Detail
CHEMBL474459
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CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)CCO)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
Basic Information
| ChEMBL ID | CHEMBL474459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSQOMQKOXBMZBO-PAXLWEDBSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
573.1
MW (Da)
2.41
ALogP
7
HBA
4
HBD
130.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | ng.hr.mL-1 | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 2.5 | nM | 8.6 | Inhibition of human factor 10a | 19128974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19128974 | 10.1016/j.bmc.2008.12.037 | Coagulation factor X | 1 |
| 19128974 | 10.1016/j.bmc.2008.12.037 | Plasma | 1 |
| 19128974 | 10.1016/j.bmc.2008.12.037 | Unchecked | 1 |
| 19128974 | 10.1016/j.bmc.2008.12.037 | No relevant target | 1 |
| 19128974 | 10.1016/j.bmc.2008.12.037 | Rhesus monkey | 1 |
Data from ChEMBL 36 via Core Engine