Compound Detail
CHEMBL3697621
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3697621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLWPDFHBTSGXSA-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.48
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.76 | 7.51 | 17.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 17.5 | nM | 7.76 | Competition Binding Assay: The affinity of the compounds described herein was de... | - |
| D(1A) dopamine receptor | Ki | = | 17.5 | nM | 7.76 | Receptor Binding Assay: D1 binding assays were performed using over-expressing L... | - |
| D(1A) dopamine receptor | Ki | = | 54.7 | nM | 7.26 | Competition Binding Assay: The affinity of the compounds described herein was de... | - |
| D(1A) dopamine receptor | Ki | = | 54.7 | nM | 7.26 | Receptor Binding Assay: D1 binding assays were performed using over-expressing L... | - |
Data from ChEMBL 36 via Core Engine