Payload Information

General Information of This Payload
Payload ID
PAY0TZRTO
Name
PM050489
Synonyms
PM050489; SCHEMBL12895632; HY-N10558; CS-0611026
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Target(s) Microtubule (MT)
 Target Info 
Structure
Formula
C31H44ClN3O7
Isosmiles
C[C@@H](/C=C(\C)/C=C\C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)/Cl)OC(=O)N)C(C)(C)C)[C@@H]1CC=C(C(=O)O1)OC
PubChem CID
57788248
InChI
InChI=1S/C31H44ClN3O7/c1-20(19-21(2)24-16-17-25(40-7)29(38)42-24)11-8-9-13-26(36)35-27(31(4,5)6)28(37)34-18-10-12-23(41-30(33)39)15-14-22(3)32/h8-11,13-14,17-19,21,23-24,27H,12,15-16H2,1-7H3,(H2,33,39)(H,34,37)(H,35,36)/b11-8-,13-9-,18-10-,20-19+,22-14+/t21-,23+,24-,27+/m0/s1
InChIKey
KRJDJEJEUDVRKZ-HUSNLYBVSA-N
IUPAC Name
[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] carbamate
Pharmaceutical Properties
Molecule Weight
606.1
Polar area
146
Complexity
1150
xlogp Value
6.1
Heavy Count
42
Rot Bonds
16
Hbond acc
7
Hbond Donor
3
The activity data of This Payload
Standard Type Value Units Cell line Disease Model Cell line ID Reference
Half Maximal Inhibitory Concentration (IC50) 0.04 nM
NB-4 cells
Promyelocytic leukemia
CVCL_0005 
[1]
Half Maximal Inhibitory Concentration (IC50) 0.09 nM
U-937 cells
Adult acute monocytic leukemia
CVCL_0007 
[1]
Half Maximal Inhibitory Concentration (IC50) 0.14 nM
RPMI-8226 cells
Plasma cell myeloma
CVCL_0014 
[1]
Half Maximal Inhibitory Concentration (IC50) 0.36 nM
Raji cells
EBV-related Burkitt lymphoma
CVCL_0511 
[1]
Half Maximal Inhibitory Concentration (IC50) 0.4 nM
HT-1080 cells (FAP expression)
Fibrosarcoma
CVCL_0317 
[1]
Each Antibody-drug Conjugate Related to This Payload
References
Ref 1 CD13 as a new tumor target for antibody-drug conjugates: validation with the conjugate MI130110. J Hematol Oncol. 2020 Apr 7;13(1):32.

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