Compound Detail
CHEMBL279287
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Cc1cc(C(=O)Nc2ccc(-n3ccnc3CN(C)C)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1
Basic Information
| ChEMBL ID | CHEMBL279287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLDFKUNAZJSYRJ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
503.0
MW (Da)
5.63
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.96
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.96 | 8.89 | 1.1 | 2 |
| Coagulation factor X CHEMBL244 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 35.0 | % | Rattus norvegicus |
| T1/2 | 7.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 1.1 | nM | 8.96 | Binding affinity against Coagulation factor X | 14980670 |
| Coagulation factor X | Ki | = | 1.5 | nM | 8.82 | Inhibition of factor 10a | 20503967 |
| Coagulation factor X | IC50 | = | 4.0 | nM | 8.4 | Inhibitory concentration against human Coagulation factor X | 14980670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980670 | 10.1016/j.bmcl.2003.12.053 | Coagulation factor X | 3 |
| 20503967 | 10.1021/jm100146h | Rattus norvegicus | 2 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine