Compound Detail
CHEMBL29392
DIAMINOOCTANE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL29392 |
| Name | DIAMINOOCTANE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWGJDPKCLMLPJW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
144.3
MW (Da)
1.24
ALogP
2
HBA
2
HBD
52.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyamine oxidase 1 CHEMBL6108 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.62 | 4.62 | 24090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyamine oxidase 1 | Ki | = | 300.0 | nM | 6.52 | Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method | 19591488 |
| Unchecked | Ki | = | 24090.0 | nM | 4.62 | Binding affinity to the mouse polyamine transporter on the L1210 cell surface | 12801231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19648006 | 10.1016/j.bmcl.2009.07.086 | J774 | 6 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | CHO | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 12801231 | 10.1021/jm020598g | Unchecked | 1 |
| 2329556 | 10.1021/jm00167a014 | L1210 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | L1210 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | NON-PROTEIN TARGET | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | DU-145 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | MCF7 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | K562 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | U-251 | 1 |
| 19591488 | 10.1021/jm900371z | Polyamine oxidase 1 | 1 |
| 19648006 | 10.1016/j.bmcl.2009.07.086 | Mycobacterium tuberculosis | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine