Compound Detail
CHEMBL136566
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COC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2CCCCc1ccc(N=[N+]=[N-])c(I)c1
Basic Information
| ChEMBL ID | CHEMBL136566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASVYHUAGODGJSA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
578.9
MW (Da)
7.02
ALogP
4
HBA
0
HBD
78.3
PSA (Ų)
0.08
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 33.0 | nM | 7.48 | 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