Compound Detail
CHEMBL2165578
PEGANOLE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2165578 |
| Name | PEGANOLE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDWJAMWCGSWTQS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
1.82
ALogP
3
HBA
1
HBD
35.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 4.94 | 4.94 | 11390.0 | 1 |
| Chlamydia pneumoniae CHEMBL612694 | IC50 | 4.46 | 4.46 | 35100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 11390.0 | nM | 4.94 | Inhibition of horse BChE by Ellman's method | 23062825 |
| Chlamydia pneumoniae | IC50 | = | 35100.0 | nM | 4.46 | Antichlamydial activity against Chlamydia pneumoniae K7 infected in HL cells aft... | 29043803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 3 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 2 |
| 29043803 | 10.1021/acs.jnatprod.6b01052 | Chlamydia pneumoniae | 2 |
| 29043803 | 10.1021/acs.jnatprod.6b01052 | HL | 1 |
Data from ChEMBL 36 via Core Engine