Compound Detail
CHEMBL227213
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Basic Information
| ChEMBL ID | CHEMBL227213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GENAHGKEFJLNJB-QMTHXVAHSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
1.52
ALogP
2
HBA
2
HBD
62.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 6 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Kd | 9.21 | 8.8767 | 0.6 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Kd | = | 0.62 | nM | 9.21 | In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membrane... | 10956209 |
| D(2) dopamine receptor | Kd | = | 0.62 | nM | 9.21 | In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membrane... | 10956209 |
| D(2) dopamine receptor | Kd | = | 1.0 | nM | 9.0 | In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes. | 10956209 |
| D(2) dopamine receptor | Kd | = | 1.8 | nM | 8.74 | In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. | 10956209 |
| D(2) dopamine receptor | Kd | = | 2.8 | nM | 8.55 | In vitro affinity at mutant D2 receptor (S193A) in C6 (glioma) cell membranes. | 10956209 |
| D(2) dopamine receptor | Kd | = | 2.8 | nM | 8.55 | In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. | 10956209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956209 | 10.1021/jm990526y | D(2) dopamine receptor | 6 |
| 17539620 | 10.1021/jm060947x | D(1A) dopamine receptor | 1 |
| 17539620 | 10.1021/jm060947x | D(2) dopamine receptor | 1 |
| 17539620 | 10.1021/jm060947x | Adenosine receptor A1 | 1 |
| 17539620 | 10.1021/jm060947x | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine