Compound Detail
CHEMBL4101764
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Cc1cccc(N(CCC(=O)O)C(=O)c2ccc3c(c2)nc(CNc2ccc(C(=N)N)cc2F)n3C)n1
Basic Information
| ChEMBL ID | CHEMBL4101764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICZYQAGHKWASMG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
503.5
MW (Da)
3.43
ALogP
7
HBA
4
HBD
150.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 1.42 | nM | 8.85 | Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC sub... | 27951488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27951488 | 10.1016/j.ejmech.2016.12.015 | Prothrombin | 2 |
| 27951488 | 10.1016/j.ejmech.2016.12.015 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine