Compound Detail
CHEMBL152049
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
CCn1c(CN2C(=O)COc3cc(OC4CCN(C(C)=N)CC4)ccc32)cc2ccc(C(=N)N)cc21
Basic Information
| ChEMBL ID | CHEMBL152049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTHGWGKRZLUTAJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
3.71
ALogP
6
HBA
3
HBD
120.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Trypsin II CHEMBL4290 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 6.06 | 6.06 | 877.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 2.0 | nM | 8.7 | Inhibitory concentration to factor Xa | 12565972 |
| Trypsin II | IC50 | = | 58.0 | nM | 7.24 | Inhibitory concentration against trypsin | 12565972 |
| Prothrombin | IC50 | = | 877.0 | nM | 6.06 | Inhibition of factor II | 12565972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565972 | 10.1016/s0960-894x(02)00927-7 | Coagulation factor X | 1 |
| 12565972 | 10.1016/s0960-894x(02)00927-7 | Prothrombin | 1 |
| 12565972 | 10.1016/s0960-894x(02)00927-7 | Trypsin II | 1 |
| 12565972 | 10.1016/s0960-894x(02)00927-7 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine