Compound Detail
CHEMBL305809
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1nc2c(Oc3cc(C(=N)N)ccc3O)nc(Oc3cccc(C(=O)N(C)C)c3)nc2n1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL305809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKOPFZLRBYCQSH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
4.46
ALogP
9
HBA
3
HBD
152.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.38 | 9.38 | 0.4 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.15 | 6.15 | 710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.42 | nM | 9.38 | Compound was tested for inhibitory activity against human Coagulation factor X | 9873520 |
| Serine protease 1 | Ki | = | 150.0 | nM | 6.82 | Compound was tested for inhibitory activity against bovine trypsin | 9873520 |
| Prothrombin | Ki | = | 710.0 | nM | 6.15 | Compound was tested for inhibitory activity against human thrombin | 9873520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873520 | 10.1016/s0960-894x(98)00386-2 | Coagulation factor X | 1 |
| 9873520 | 10.1016/s0960-894x(98)00386-2 | Prothrombin | 1 |
| 9873520 | 10.1016/s0960-894x(98)00386-2 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine