Compound Detail
CHEMBL300780
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Basic Information
| ChEMBL ID | CHEMBL300780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJPWVCIGSHWNON-UHFFFAOYSA-N |
12
Targets
38
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
494.5
MW (Da)
5.90
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 31 meas. best 9.63
IC50 6 meas. best 8.3
Kd 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.63 | 8.83 | 0.2 | 9 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.96 | 8.9233 | 1.1 | 3 |
| Unchecked CHEMBL612545 | Ki | 8.85 | 7.755 | 1.4 | 2 |
| D(3) dopamine receptor CHEMBL234 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 8.3 | 7.9933 | 5.0 | 3 |
| CHO-hD3 CHEMBL614557 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.26 | 6.8538 | 54.7 | 8 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.66 | 6.2467 | 217.0 | 3 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.65 | 6.65 | 223.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.39 | 6.39 | 411.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.19 | 6.19 | 642.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.17 | 6.17 | 679.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.89 | 5.89 | 1280.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.69 | 5.69 | 2040.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.43 | 5.43 | 3670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine