Compound Detail
CHEMBL4998385
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Basic Information
| ChEMBL ID | CHEMBL4998385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDMFEHDPFNGHCK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
309.2
MW (Da)
2.38
ALogP
4
HBA
2
HBD
41.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.08
EC50 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 6.65 | 6.65 | 226.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.08 | 6.08 | 840.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 226.0 | nM | 6.65 | Agonist activity at DRD4 expressed in human HEK293T cells assessed as cAMP accum... | 29051383 |
| D(4) dopamine receptor | Ki | = | 840.0 | nM | 6.08 | Displacement of 3H-N-Methylspiperone from DRD4 in human HEK293T cells membrane a... | 29051383 |
| D(3) dopamine receptor | Ki | = | 1900.0 | nM | 5.72 | Displacement of 3H-N-Methylspiperone from DRD3 in human HEK293T cells membrane a... | 29051383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| 29051383 | 10.1126/science.aan5468 | D(4) dopamine receptor | 2 |
| 29051383 | 10.1126/science.aan5468 | Unchecked | 1 |
| 29051383 | 10.1126/science.aan5468 | D(2) dopamine receptor | 1 |
| 29051383 | 10.1126/science.aan5468 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine