Compound Detail
CHEMBL4449549
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 | CHEMBL4449549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTEZDJQSDSRVQJ-DZGCQCFKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
3.92
ALogP
3
HBA
2
HBD
69.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 7.55 | 7.55 | 28.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | EC50 | = | 28.0 | nM | 7.55 | Positive allosteric modulation of human D1 receptor expressed in HEK293 assessed... | 31938453 |
| D(1A) dopamine receptor | EC50 | = | 28.0 | nM | 7.55 | Human D1 Receptor PAM Assay: The PAM activity of the compounds of the present in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31938453 | 10.1021/acsmedchemlett.9b00547 | D(1A) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine