Denintuzumab mafodotin
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
Molecular Identity
Denintuzumab mafodotin
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
PubChem CID: 86278355
2D Structure
Properties
C52H83N7O13S
Molecular Formula
1046.30
Molecular Weight
g/mol
1045.5770
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
301
TPSA
May have limited oral absorption
5
H-Bond Donors
15
H-Bond Acceptors
1880
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(C3=O)SCC(C(=O)O)NIsomeric SMILES
SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(C3=O)SC[C@@H](C(=O)O)NSynonyms(20)
Cys-McMMAF1160590-05-5Denintuzumab mafodotinVorsetuzumab mafodotinSGN-CD19ASGN-CD 19AUNII-H5324S1M7HDenintuzumab mafodotin [USAN:INN]H5324S1M7H1165741-01-41399672-02-6Immunoglobulin G1-kappa auristatin F conjugate, anti-(homosapiens CD19 (b lymphocyte surface antigen B4, leu-12)), humanized monoclonal antibodyVorsetzumab MafodotinVorsetzumab Mafodotin [USAN]UNII-699619YVTQ
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Denintuzumab mafodotin
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