Compound Detail
CHEMBL3697596
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Basic Information
| ChEMBL ID | CHEMBL3697596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VADRFUYAPWTJKD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
4.58
ALogP
5
HBA
1
HBD
77.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.38 | 8.38 | 4.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 4.17 | nM | 8.38 | Competition Binding Assay: The affinity of the compounds described herein was de... | - |
| D(1A) dopamine receptor | Ki | = | 4.17 | nM | 8.38 | Human D1 Receptor Binding Assay: The affinity of the compounds described herein ... | - |
| D(1A) dopamine receptor | Ki | = | 4.17 | nM | 8.38 | Receptor Binding Assay: D1 binding assays were performed using over-expressing L... | - |
Data from ChEMBL 36 via Core Engine