Compound Detail
CHEMBL17357
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Basic Information
| ChEMBL ID | CHEMBL17357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPLJLRNXOFWVTL-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
210.3
MW (Da)
1.21
ALogP
5
HBA
3
HBD
79.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.52
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | EC50 | 6.53 | 6.53 | 295.0 | 1 |
| D(2) dopamine receptor CHEMBL3998 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 150.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | EC50 | = | 30.0 | nM | 7.52 | Ability to relax the electrically stimulated rabbit ear artery was determined | 2955118 |
| D(1A) dopamine receptor | EC50 | = | 295.0 | nM | 6.53 | Dopamine receptor D1 agonist efficacy was measured with stimulation of dopamine-... | 2955118 |
| D(2) dopamine receptor | IC50 | = | 2000.0 | nM | 5.7 | Displacement of [3H]spiroperidol from homogenized bovine pituitary Dopamine rece... | 2955118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2955118 | 10.1021/jm00390a009 | D(1A) dopamine receptor | 2 |
| 2955118 | 10.1021/jm00390a009 | Oryctolagus cuniculus | 1 |
| 2955118 | 10.1021/jm00390a009 | D(2) dopamine receptor | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine