Compound Detail
CHEMBL541371
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CC(=N)N1CCC(Oc2ccc(OCc3nc4cc(C(=N)N)ccc4n3CC(=O)NCc3ccc(Cl)c(Cl)c3)cc2)CC1.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL541371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDOMSMZETFLSGL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1190689 |
| Active Moiety | CHEMBL1190689 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
622.6
MW (Da)
5.36
ALogP
7
HBA
4
HBD
142.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 30.0 | nM | 7.52 | Inhibitory concentration against human Coagulation factor X | 15261287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261287 | 10.1016/j.bmcl.2004.05.092 | Coagulation factor X | 1 |
| 15261287 | 10.1016/j.bmcl.2004.05.092 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine