General Information of the Compound
| Compound ID |
CP0067112
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Synonyms |
4-HPR
Fenretinide
Fenretinide (Ewing's sarcoma), Cancer Research UK
Fenretinide (ILE formulation), Children's Hospital LA
Fenretinide (intralipid emulsion formulation), Children's Hospital of Los Angeles
Fenretinide (intravenous emulsion, lymphoma/solid tumors/pediatric neuroblastomas/pediatric leukemia), CerRx
Fenretinide (intravenous, cancer), SciTech Development
Fenretinide (iv), Children's Hospital LA
Fenretinide (oral powder/Lym-X-Sorb, neuroblastoma), BioMolecular Products
Fenretinide (oral, AMD), Sytera
Fenretinide (pulmonary Pseudomonas aeruginosa infections in cystic fibrosis), McGill University
Fenretinide (soft gel capsule, AMD), ReVision Therapeutics
Fenretinide (soft gel capsule, AMD), Sirion
Fenretinide (topical, actinic keratosis and cancer), SciTech Development
LXS/4-HPR
N-(4-hydroxyphenyl)retinamide
RT-101
ST-602
SYT-101
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33NO2
|
||||||||||||||||||
| Molecular Weight |
391.555
|
||||||||||||||||||
| Canonical SMILES |
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
Show/Hide
|
||||||||||||||||||
| InChIKey |
AKJHMTWEGVYYSE-FXILSDISSA-N
|
||||||||||||||||||
| CAS |
65646-68-6
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03388, Indoleamine 2,3-dioxygenase 1
Protein ID: PT06300, Indoleamine 2,3-dioxygenase 2
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound