Compound Detail
CHEMBL471382
2,3-DIHYDROTERRITREM B Enter ChEMBL ID:
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COc1cc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C(=O)CCC(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL471382 |
| Name | 2,3-DIHYDROTERRITREM B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXVYSNLGMJWPMS-VJLHXPKFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
3.68
ALogP
9
HBA
2
HBD
124.7
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of electric eel AChE by Ellman's method | 7673929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7673929 | 10.1021/np50120a006 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine