Compound Detail
CHEMBL4455788
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Basic Information
| ChEMBL ID | CHEMBL4455788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSUPVFQPRMPPAD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.9
MW (Da)
4.43
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.0
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Kd | 9.0 | 9.0 | 1.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 6.32 | 10'8/M/min | Homo sapiens |
| T1/2 | 0.01983 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Kd | = | 1.0 | nM | 9.0 | Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell mem... | 31580666 |
| D(2) dopamine receptor | Ki | = | 1.0 | nM | 9.0 | Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell mem... | 31580666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31580666 | 10.1021/acs.jmedchem.9b00864 | D(2) dopamine receptor | 7 |
Data from ChEMBL 36 via Core Engine