Compound Detail
CHEMBL541264
N1-Acitretinylspermine Enter ChEMBL ID:
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COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCNCCCCNCCCN)c(C)c1C
Basic Information
| ChEMBL ID | CHEMBL541264 |
| Name | N1-Acitretinylspermine |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPPUPIVAFXIPEU-PQOKHLAOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.8
MW (Da)
4.90
ALogP
5
HBA
4
HBD
88.4
PSA (Ų)
0.13
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.61 | 5.61 | 2450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2450.0 | nM | 5.61 | Inhibition of Dictyostelium discoideum AX2 RNase P by double reciprocal plot | 19216007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19216007 | 10.1016/j.ejmech.2009.01.001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine