Compound Detail
CHEMBL354699
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Basic Information
| ChEMBL ID | CHEMBL354699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTFSLEXEAAFSHO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.0
MW (Da)
4.15
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.98 | 5.98 | 1056.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 29.0 | nM | 7.54 | Displacement of [3H]-YM 09151 from D4 receptor | 12639562 |
| D(2) dopamine receptor | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]-YM 09151 from D2 receptor | 12639562 |
| Adrenergic receptor alpha-1 | Ki | = | 1056.0 | nM | 5.98 | Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homog... | 12639562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639562 | 10.1016/s0960-894x(02)01056-9 | D(2) dopamine receptor | 1 |
| 12639562 | 10.1016/s0960-894x(02)01056-9 | D(4) dopamine receptor | 1 |
| 12639562 | 10.1016/s0960-894x(02)01056-9 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine