Compound Detail
CHEMBL300808
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CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(Cc4ccccc4)C2N3Cc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL300808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUWBYSXJTSFIKC-XZEQTHJSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
531.7
MW (Da)
7.93
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 6.88 | 6.88 | 132.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 132.0 | nM | 6.88 | Ability to inhibit butyrylcholinesterase (BChE), freshly prepared from human pla... | 10346939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10346939 | 10.1021/jm980459s | Acetylcholinesterase | 1 |
| 10346939 | 10.1021/jm980459s | Cholinesterase | 1 |
| 10346939 | 10.1021/jm980459s | Cholinesterases; ACHE & BCHE | 1 |
Data from ChEMBL 36 via Core Engine