Compound Detail
CHEMBL2029054
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CNCC[C@H](Oc1cccc2c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc12)c1cccs1
Basic Information
| ChEMBL ID | CHEMBL2029054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MERKGGYYOYLGCB-ROPJLGIWSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
681.7
MW (Da)
-0.83
ALogP
15
HBA
9
HBD
254.2
PSA (Ų)
0.11
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177457 | 10.1016/j.bmcl.2004.04.066 | Sodium-dependent serotonin transporter | 1 |
| 15177457 | 10.1016/j.bmcl.2004.04.066 | Sodium-dependent noradrenaline transporter | 1 |
| 15177457 | 10.1016/j.bmcl.2004.04.066 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine