Compound Detail
CHEMBL1202208
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Basic Information
| ChEMBL ID | CHEMBL1202208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIGKFDFMSKBNRX-GUTACTQSSA-N |
| Parent Compound | CHEMBL126493 |
| Active Moiety | CHEMBL126493 |
3
Targets
5
Activities
2
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
320.5
MW (Da)
4.23
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Ki 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.21 | 7.21 | 61.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.88 | 6.88 | 131.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2667 | hr | Homo sapiens |
| T1/2 | 0.05 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | IC50 | = | 8.0 | nM | 8.1 | Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 ... | 11052797 |
| D(4) dopamine receptor | Ki | = | 13.0 | nM | 7.89 | Antagonism of dopamine-stimulated [35S]GTP-gamma-S binding against human Dopamin... | 11052797 |
| D(2) dopamine receptor | Ki | = | 61.0 | nM | 7.21 | Antagonism of dopamine-stimulated [35S]GTP-gamma-S binding against human Dopamin... | 11052797 |
| D(2) dopamine receptor | IC50 | = | 73.0 | nM | 7.14 | Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 ... | 11052797 |
| Adrenergic receptor alpha-1 | IC50 | = | 131.0 | nM | 6.88 | Binding affinity to alpha-1 adrenergic receptor from rat brain homogenate, using... | 11052797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11052797 | 10.1021/jm990562x | Rattus norvegicus | 3 |
| 11052797 | 10.1021/jm990562x | D(2) dopamine receptor | 2 |
| 11052797 | 10.1021/jm990562x | D(4) dopamine receptor | 2 |
| 11052797 | 10.1021/jm990562x | Adrenergic receptor alpha-1 | 1 |
| 11052797 | 10.1021/jm990562x | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine