General Information of This Payload
Payload ID
PAY0YSAZV
Name
MIK665
Synonyms
MIK665
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Target(s) Induced myeloid leukemia cell differentiation protein (MCL1)
Structure
Formula
C47H44ClFN6O6S
Isosmiles
[H]OC(=O)[C@]([H])(Oc1nc([H])nc2sc(-c3c([H])c([H])c(F)c([H])c3[H])c(-c3c([H])c([H])c(OC([H])([H])C([H])([H])N4C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C4([H])[H])c(Cl)c3C([H])([H])[H])c12)C([H])([H])c1c([H])c([H])c([H])c([H])c1OC([H])([H])c1nc(-c2c([H])c([H])c([H])c([H])c2OC([H])([H])[H])nc([H])c1[H]
InChI
InChI=1S/C47H44ClFN6O6S/c1-29-34(16-17-38(42(29)48)59-25-24-55-22-20-54(2)21-23-55)40-41-45(51-28-52-46(41)62-43(40)30-12-14-32(49)15-13-30)61-39(47(56)57)26-31-8-4-6-10-36(31)60-27-33-18-19-50-44(53-33)35-9-5-7-11-37(35)58-3/h4-19,28,39H,20-27H2,1-3H3,(H,56,57)/t39-/m1/s1
InChIKey
PKYIMGFMRFVOMB-LDLOPFEMSA-N
Pharmaceutical Properties
Molecule Weight
875.423
Polar area
132.26
Complexity
874.27156
xlogp Value
8.87172
Heavy Count
62
Rot Bonds
19
Hbond acc
13
Hbond Donor
1
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