Compound Detail
CHEMBL331771
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
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL331771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGZQUAAOKFNFJD-UKILVPOCSA-N |
0
Targets
1
Activities
1
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
548.7
MW (Da)
1.57
ALogP
5
HBA
5
HBD
171.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas.
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4533.33 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 19683.33 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 8.6 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 5103.25 | nM | Rattus norvegicus |
| F | 8.0 | % | Rattus norvegicus |
| T1/2 | 0.75 | hr | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12904065 | 10.1021/jm030025j | Rattus norvegicus | 11 |
| 12904065 | 10.1021/jm030025j | ADMET | 3 |
| 12904065 | 10.1021/jm030025j | Prothrombin | 1 |
| 12904065 | 10.1021/jm030025j | Canis familiaris | 1 |
| 12904065 | 10.1021/jm030025j | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine