Compound Detail
CHEMBL3646804
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O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4ccoc4c3)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL3646804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMRZXKOBKHEGPT-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
3.77
ALogP
5
HBA
1
HBD
84.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid synthase CHEMBL4158 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | IC50 | = | 6.0 | nM | 8.22 | Biological Assay: Assay #1:Inhibition of FAS activity can be measured based on t... | - |
Data from ChEMBL 36 via Core Engine