Compound Detail
CHEMBL356035
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Basic Information
| ChEMBL ID | CHEMBL356035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYMCQRFZGGPVHD-CQSZACIVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
1
Known Names
Molecular Properties
295.4
MW (Da)
3.63
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2096970 | IC50 | 7.22 | 6.75 | 60.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 60.0 | nM | 7.22 | Binding affinity against dopamine receptor from P4 fractions of caudate nucleus ... | 6682147 |
| Dopamine receptor | IC50 | = | 66.0 | nM | 7.18 | Binding affinity against dopamine receptor from P4 fractions of caudate nucleus ... | 6682147 |
| Dopamine receptor | IC50 | = | 1414.0 | nM | 5.85 | Binding affinity against dopamine receptor from P4 fractions of caudate nucleus ... | 6682147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6682147 | 10.1021/jm00358a011 | Rattus norvegicus | 23 |
| 6682147 | 10.1021/jm00358a011 | Dopamine receptor | 3 |
| 6682147 | 10.1021/jm00358a011 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine