Compound Detail
CHEMBL4073330
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Basic Information
| ChEMBL ID | CHEMBL4073330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSLWZIRTOUAUNP-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
3.13
ALogP
8
HBA
1
HBD
83.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.07 | 8.07 | 8.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.77 | 7.285 | 17.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.72 | 7.56 | 19.0 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.57 | 6.57 | 270.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 8.5 | nM | 8.07 | Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes by ... | 28489379 |
| Unchecked | Ki | = | 17.0 | nM | 7.77 | Displacement of [3H]WAY100635 from 5-HT1AR in porcine cerebral cortex by radioli... | 28489379 |
| D(2) dopamine receptor | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]spiperone from human D2SR expressed in CHO cell membranes by... | 28489379 |
| D(2) dopamine receptor | Ki | = | 40.0 | nM | 7.4 | Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranes by... | 28489379 |
| Unchecked | Ki | = | 160.0 | nM | 6.8 | Displacement of [3H]prazosin from alpha1-adrenergic receptor in porcine cerebral... | 28489379 |
| D(4) dopamine receptor | Ki | = | 270.0 | nM | 6.57 | Displacement of [3H]spiperone from human D4R expressed in CHO cell membranes by ... | 28489379 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2800.0 | nM | 5.55 | Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell memb... | 28489379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28489379 | 10.1021/acs.jmedchem.7b00363 | D(2) dopamine receptor | 4 |
| 28489379 | 10.1021/acs.jmedchem.7b00363 | Unchecked | 2 |
| 28489379 | 10.1021/acs.jmedchem.7b00363 | D(1A) dopamine receptor | 1 |
| 28489379 | 10.1021/acs.jmedchem.7b00363 | D(3) dopamine receptor | 1 |
| 28489379 | 10.1021/acs.jmedchem.7b00363 | D(4) dopamine receptor | 1 |
| 28489379 | 10.1021/acs.jmedchem.7b00363 | D(1B) dopamine receptor | 1 |
| 28489379 | 10.1021/acs.jmedchem.7b00363 | 5-hydroxytryptamine receptor 2A | 1 |
| 28489379 | 10.1021/acs.jmedchem.7b00363 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine