Ava-6000
N-[(2R)-1-[(2S)-2-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyridine-4-carboxamide
Molecular Identity
Ava-6000
N-[(2R)-1-[(2S)-2-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyridine-4-carboxamide
PubChem CID: 118584251
2D Structure
Properties
C41H44N4O14
Molecular Formula
816.80
Molecular Weight
g/mol
816.2854
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
271
TPSA
May have limited oral absorption
7
H-Bond Donors
15
H-Bond Acceptors
1630
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C6CCCN6C(=O)C(C)NC(=O)C7=CC=NC=C7)OIsomeric SMILES
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)[C@@H]6CCCN6C(=O)[C@@H](C)NC(=O)C7=CC=NC=C7)OSynonyms(16)
7XPB9B6MUAAVA6000AVA-60001841402-73-0RefChem:1077361AVA 6000FAP-activated Doxorubicin Prodrug AVA6000Fibroblast Activation Protein Alpha-activated Doxorubicin Prodrug AVA6000UNII-7XPB9B6MUAFaridoxorubicinfaridoxorubicin [INN]orb3136338SCHEMBL17345374T2119555,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[[N-(4-pyridinylcarbonyl)-D-alanyl-L-prolyl]amino]-alpha-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ava-6000
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