Compound Detail
CHEMBL553243
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Cl.O=C1CNC(=O)N1CCCCCN1CC[C@@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@H]2C1
Basic Information
| ChEMBL ID | CHEMBL553243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHKRWKWFTXFBBS-ZOLWKPHLSA-N |
| Parent Compound | CHEMBL1194746 |
| Active Moiety | CHEMBL1194746 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.00
ALogP
4
HBA
1
HBD
55.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 6.0 | nM | 8.22 | Inhibition of [3H]spiroperidol (0.5 nM) binding to dopamine receptor from rat st... | 3941416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3941416 | 10.1021/jm00151a002 | Rattus norvegicus | 3 |
| 3941416 | 10.1021/jm00151a002 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine