Compound Detail
CHEMBL4112083
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CN(C)C(=O)OC1CCN(c2ccc(-c3nc4[nH]c(O[C@@H]5COC6C5OC[C@H]6O)nc4cc3Cl)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4112083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYOAOBTYZTYIOD-FDIHYXAFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
544.0
MW (Da)
2.85
ALogP
9
HBA
2
HBD
122.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045 | EC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-AMP-activated protein kinase catalytic subunit alpha-1 | EC50 | = | 32.0 | nM | 7.5 | AMPK Activation Assay: In the 384-well plates 1.25 ul of test compound in assay ... | - |
Data from ChEMBL 36 via Core Engine