Compound Detail
CHEMBL279924
ETICYCLIDINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL279924 |
| Name | ETICYCLIDINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | IFYLVUHLOOCYBG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
2
Publications
3
Known Names
Molecular Properties
203.3
MW (Da)
3.46
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 2 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL2528 | Ki | 4.24 | 4.24 | 57544.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.03833 | hr | - |
| T1/2 | 0.03667 | hr | - |
| T1/2 | 0.09667 | hr | - |
| T1/2 | 0.1 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | Ki | = | 58000.0 | nM | 4.24 | Compound was evaluated for the protection of butyrylcholinesterase against DFT i... | 6481761 |
| Cholinesterase | Ki | = | 57543.99 | nM | 4.24 | -Log (Ki) value for butyrylcholinesterase by inhibiting DFP | 6481761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6481761 | 10.1021/jm00376a006 | ADMET | 9 |
| 6481761 | 10.1021/jm00376a006 | Cholinesterase | 2 |
Data from ChEMBL 36 via Core Engine