Compound Detail
CHEMBL1095305
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CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c3[nH]c(=O)ccc13)C2
Basic Information
| ChEMBL ID | CHEMBL1095305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTEUXTDFPHJNHA-IQEQWHAESA-N |
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
568.6
MW (Da)
0.71
ALogP
9
HBA
7
HBD
181.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 0.6 | ng.hr.mL-1 | Homo sapiens |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22648561 | 10.1124/dmd.112.046151 | Serum | 4 |
| 22648561 | 10.1124/dmd.112.046151 | ADMET | 2 |
| 20402514 | 10.1021/jm100068m | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine