Compound Detail
CHEMBL3350580
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CN1C=CCC(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])=C1
Basic Information
| ChEMBL ID | CHEMBL3350580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQUIMJFYHVMINU-OUCADQQQSA-N |
0
Targets
0
Activities
0
Assay Types
5
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
0.78
ALogP
8
HBA
1
HBD
142.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4430.0 | ng.hr.mL-1 | - |
| T1/2 | 4.33 | hr | Homo sapiens |
| T1/2 | 0.56 | hr | Mus musculus |
| T1/2 | 0.17 | hr | Mus musculus |
| T1/2 | 2.13 | hr | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2374145 | 10.1021/jm00170a023 | Mus musculus | 4 |
| 2374145 | 10.1021/jm00170a023 | ADMET | 4 |
| 2374145 | 10.1021/jm00170a023 | Homo sapiens | 2 |
Data from ChEMBL 36 via Core Engine