Compound Detail
CHEMBL104141
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Basic Information
| ChEMBL ID | CHEMBL104141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IURHNFGBYOFFDB-WIYYLYMNSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
4.08
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 6 meas. best 6.52
EC50 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Kd | 6.52 | 6.23 | 300.0 | 6 |
| Adenylate cyclase type 5 CHEMBL2880 | EC50 | 6.48 | 6.48 | 333.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Kd | = | 300.0 | nM | 6.52 | In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membrane... | 10956209 |
| D(2) dopamine receptor | Kd | = | 300.0 | nM | 6.52 | In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membrane... | 10956209 |
| Adenylate cyclase type 5 | EC50 | = | 333.0 | nM | 6.48 | Effective concentration as Adenylate cyclase activity was measured in rat homoge... | 7636869 |
| D(2) dopamine receptor | Kd | = | 400.0 | nM | 6.4 | In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. | 10956209 |
| D(2) dopamine receptor | Kd | = | 700.0 | nM | 6.16 | In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes. | 10956209 |
| D(2) dopamine receptor | Kd | = | 1300.0 | nM | 5.89 | In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. | 10956209 |
| D(2) dopamine receptor | Kd | = | 1300.0 | nM | 5.89 | In vitro affinity at mutant D2 receptor (S193A) in C6 (glioma) cell membranes. | 10956209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956209 | 10.1021/jm990526y | D(2) dopamine receptor | 6 |
| 7636869 | 10.1021/jm00016a009 | Adenylate cyclase type 5 | 2 |
| 7636869 | 10.1021/jm00016a009 | D(1A) dopamine receptor | 1 |
| 7636869 | 10.1021/jm00016a009 | D(2) dopamine receptor | 1 |
| 7636869 | 10.1021/jm00016a009 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine