Compound Detail
CHEMBL6053591
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C[C@H]1c2cccc(-c3cnn(C4COC4)c3)c2C[C@H](CO)N1C(=O)Cc1c(F)cccc1Cl
Basic Information
| ChEMBL ID | CHEMBL6053591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCOKDNBVBBNBIO-DOTOQJQBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.9
MW (Da)
3.96
ALogP
5
HBA
1
HBD
67.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 7.38 | 7.38 | 42.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | EC50 | = | 42.2 | nM | 7.38 | Human D1 Receptor PAM Assay: The PAM activity of the compounds of the present in... | - |
Data from ChEMBL 36 via Core Engine