Compound Detail
CHEMBL4464150
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Basic Information
| ChEMBL ID | CHEMBL4464150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTKPERCIOSBVNI-DZGCQCFKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.3
MW (Da)
4.43
ALogP
3
HBA
2
HBD
69.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 8.19 | 7.9767 | 6.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | EC50 | = | 6.41 | nM | 8.19 | Positive allosteric modulation of human D1 receptor in HEK293 cells assessed as ... | 35175768 |
| D(1A) dopamine receptor | EC50 | = | 13.4 | nM | 7.87 | Positive allosteric modulation of human D1 receptor expressed in HEK293 assessed... | 31938453 |
| D(1A) dopamine receptor | EC50 | = | 13.4 | nM | 7.87 | 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 |
| 35175768 | 10.1021/acs.jmedchem.1c01887 | D(1A) dopamine receptor | 2 |
| 31938453 | 10.1021/acsmedchemlett.9b00547 | Mus musculus | 1 |
| 35175768 | 10.1021/acs.jmedchem.1c01887 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine