Aminosterol ENT-03
(6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
Molecular Identity
Aminosterol ENT-03
(6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
PubChem CID: 168429557
2D Structure
Properties
C37H70N4O3
Molecular Formula
619.00
Molecular Weight
g/mol
618.5448
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
6
H-Bond Donors
7
H-Bond Acceptors
874
Complexity
SMILES
Canonical SMILES
SMILES: CC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)NCCCNCCCCNCCCN)C)O)CIsomeric SMILES
SMILES: C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)NCCCNCCCCNCCCN)C)O)CSynonyms(8)
ENT-03Aminosterol ENT-03DM3EKX84Y7CHEMBL5314916GLXC-27573(6R)-6-((3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-((3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)amino)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoic acid2597832-98-7Cholestan-26-oic acid, 3-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]amino]-7-hydroxy-, (3beta,5alpha,7alpha)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Aminosterol ENT-03
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