Compound Detail
CHEMBL174335
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N=C(N)c1cccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL174335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUZWQHAZGZZCGJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.4
MW (Da)
5.84
ALogP
4
HBA
4
HBD
121.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.8
Ki 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Coagulation factor X CHEMBL244 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 1.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.7 | nM | 9.15 | Inhibition of Coagulation factor X | 15013006 |
| Coagulation factor X | IC50 | = | 1.6 | nM | 8.8 | Inhibitory concentration against coagulation factor Xa. | 15013006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013006 | 10.1016/j.bmcl.2003.11.079 | Coagulation factor X | 3 |
| 15013006 | 10.1016/j.bmcl.2003.11.079 | No relevant target | 1 |
| 15013006 | 10.1016/j.bmcl.2003.11.079 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine