Payload Information

General Information of This Payload
Payload ID
PAY0RZEQK
Name
E7974
Synonyms
E7974; 610787-07-0; 1BO0C11BSH; UNII-1BO0C11BSH; ER-807974; E 7974; E-7974; (E,4S)-4-(((2S)-2-(((2R)-1-Isopropylpiperidine-2-carbonyl)amino)-3,3-dimethyl-butanoyl)-methyl-amino)-2,5-dimethyl-hex-2-enoic acid; 2-Hexenoic acid, 4-(((2S)-3,3-dimethyl-2-((((2R)-1-(1-methylethyl)-2-piperidinyl)carbonyl)amino)-1-oxobutyl)methylamino)-2,5-dimethyl-, (2E,4S)-; (S,E)-4-((S)-2-((R)-1-isopropylpiperidine-2-carboxamido)-N,3,3-trimethylbutanamido)-2,5-dimethylhex-2-enoic acid.; SCHEMBL58338; SCHEMBL1901975; DTXSID101026331; (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-1-propan-2-ylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
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Target(s) Microtubule (MT)
 Target Info 
Structure
Formula
C24H43N3O4
Isosmiles
CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H]1CCCCN1C(C)C
PubChem CID
10127315
InChI
InChI=1S/C24H43N3O4/c1-15(2)19(14-17(5)23(30)31)26(9)22(29)20(24(6,7)8)25-21(28)18-12-10-11-13-27(18)16(3)4/h14-16,18-20H,10-13H2,1-9H3,(H,25,28)(H,30,31)/b17-14+/t18-,19-,20-/m1/s1
InChIKey
FWYMMXUDTATKLG-PGLMLKKXSA-N
IUPAC Name
(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-1-propan-2-ylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
Pharmaceutical Properties
Molecule Weight
437.6
Polar area
90
Complexity
679
xlogp Value
1.9
Heavy Count
31
Rot Bonds
9
Hbond acc
5
Hbond Donor
2
The activity data of This Payload
Standard Type Value Units Cell line Disease Model Cell line ID Reference
Half Maximal Inhibitory Concentration (IC50) 3.2 nM
HT-29 cells
Colon adenocarcinoma
CVCL_0320 
[1]
Each Antibody-drug Conjugate Related to This Payload
References
Ref 1 Synthesis and structure-activity relationships of nonaromatic taxoids: effects of alkyl and alkenyl ester groups on cytotoxicity. J Med Chem. 1997 Jan 31;40(3):279-85. doi: 10.1021/jm9606711.

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