Name: PROTAC FLT-3 degrader 1
Rating: 5 (10 reviews)

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HIT ID:HIT212080519
Cas No:2230826-81-8
常用名:PROTAC FLT-3 degrader 1
IUPAC:(2S,4R)-1-[(2S)-2-{3-[2-(2-{[4-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}phenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-10-yl]oxy}ethoxy)ethoxy]propanamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-{3-[2-(2-{[4-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}phenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-10-yl]oxy}ethoxy)ethoxy]propanamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:IKJBYQODYFQASC-YKCITUTQSA-N

分子式:C52H61N9O9S2
分子量:1020.23
氢键供体数 (HBD):5
氢键受体数 (HBA):11
LogP:5.8768806
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOc2ccc3c(c2)sc2nc(cn32)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOc2ccc3c(c2)sc2nc(cn32)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)C(C)(C)C)cc1

PROTAC FLT-3 degrader 1 is a PROTAC FLT-3 degrader of internal tandem duplication (ITD) with an IC50 of 0.6 nM and exhibits anti-proliferative activity.

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