Compound Detail
CHEMBL102276
IMINOCTADIENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL102276 |
| Name | IMINOCTADIENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RONFGUROBZGJKP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
355.6
MW (Da)
2.22
ALogP
3
HBA
7
HBD
135.8
PSA (Ų)
0.11
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Ki 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyamine oxidase 1 CHEMBL6108 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| Deoxyhypusine synthase CHEMBL2539 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyamine oxidase 1 | Ki | = | 7.5 | nM | 8.12 | Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method | 19591488 |
| Deoxyhypusine synthase | IC50 | = | 3500.0 | nM | 5.46 | In vitro IC50 value by measuring the inhibition of deoxyhypusine synthase. | 7636868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636868 | 10.1021/jm00016a008 | Deoxyhypusine synthase | 6 |
| 19650630 | 10.1021/jm900760k | Candida albicans | 4 |
| 19650630 | 10.1021/jm900760k | Candida parapsilosis | 3 |
| 19650630 | 10.1021/jm900760k | Pichia kudriavzevii | 2 |
| 7636868 | 10.1021/jm00016a008 | CHO | 1 |
| 19591488 | 10.1021/jm900371z | Polyamine oxidase 1 | 1 |
| 19650630 | 10.1021/jm900760k | Nakaseomyces glabratus | 1 |
| 19650630 | 10.1021/jm900760k | Candida tropicalis | 1 |
Data from ChEMBL 36 via Core Engine