Compound Detail
CHEMBL418140
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Basic Information
| ChEMBL ID | CHEMBL418140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHRUYTMJYBYBCS-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
4.15
ALogP
3
HBA
1
HBD
31.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.04 | 9.03 | 0.9 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.24 | 7.24 | 57.0 | 2 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.51 | 6.51 | 310.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.91 | nM | 9.04 | Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 wa... | 2889830 |
| D(2) dopamine receptor | Ki | = | 0.96 | nM | 9.02 | Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum | 2902226 |
| Adrenergic receptor alpha-1 | Ki | = | 57.0 | nM | 7.24 | Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striat... | 2902226 |
| Adrenergic receptor alpha-1 | Ki | = | 57.0 | nM | 7.24 | Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determ... | 2889830 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 310.0 | nM | 6.51 | Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat s... | 2902226 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 310.0 | nM | 6.51 | Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor deter... | 2889830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2902226 | 10.1021/jm00118a011 | Rattus norvegicus | 3 |
| 2889830 | 10.1021/jm00394a028 | Rattus norvegicus | 3 |
| 2889830 | 10.1021/jm00394a028 | D(2) dopamine receptor | 2 |
| 2889830 | 10.1021/jm00394a028 | Mus musculus | 2 |
| 2902226 | 10.1021/jm00118a011 | D(2) dopamine receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Unchecked | 1 |
| 2902226 | 10.1021/jm00118a011 | Adrenergic receptor alpha-1 | 1 |
| 2902226 | 10.1021/jm00118a011 | Serotonin 2 (5-HT2) receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Dopamine receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Mus musculus | 1 |
| 2889830 | 10.1021/jm00394a028 | Adrenergic receptor alpha-1 | 1 |
| 2889830 | 10.1021/jm00394a028 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine