Compound Detail
CHEMBL47429
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C[C@@H]1C(=O)N(C(=O)C2C(C)(C)C2(C)C)[C@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc4c(N(C)C)cccc34)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL47429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFOUEMCBUWYYFG-HAZMWSEJSA-N |
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
594.8
MW (Da)
3.72
ALogP
6
HBA
0
HBD
98.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 24.0 | hr | Homo sapiens |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12067545 | 10.1016/s0960-894x(02)00294-9 | ADMET | 1 |
| 12067545 | 10.1016/s0960-894x(02)00294-9 | Capsid scaffolding protein | 1 |
Data from ChEMBL 36 via Core Engine