Compound Detail
CHEMBL102500
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
O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cnnn1
Basic Information
| ChEMBL ID | CHEMBL102500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHOBJWJXJBHSOA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
517.9
MW (Da)
1.03
ALogP
10
HBA
2
HBD
146.6
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 10.3 | 10.3 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.05 | nM | 10.3 | Inhibitory potency against human thrombin | 15163182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163182 | 10.1021/jm030303e | Prothrombin | 1 |
| 15163182 | 10.1021/jm030303e | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine