Compound Detail
CHEMBL3084933
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Fc1ccc(C(O[C@H]2C[C@H]3CC[C@@H](C2)N3CCCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL3084933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDQHYTPBWHOLRM-BKHFGAQXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.7
MW (Da)
7.82
ALogP
4
HBA
0
HBD
24.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 420.0 | nM | 6.38 | Displacement of [3H]WIN-35 428 binding at dopamine transporter (DAT) in rat caud... | 11728190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11728190 | 10.1021/jm0101904 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine