Payload Information

General Information of This Payload
Payload ID
PAY0YBDXS
Name
Cpd 2
Synonyms
cpd 2
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Target Glucocorticoid receptor (GR)
 Target Info 
Formula
C35H39NO6
Isosmiles
C[C@]12C(CC[C@@]3([H])[C@]4([H])C[C@@H](O[C@H]5C(C=C6)=CC=C6CC7=CC=CC(N)=C7)[C@@](C(CO)=O)(O5)[C@@]4(C)C[C@H](O)[C@@]31[H])=CC(C=C2)=O
PubChem CID
134491939
InChI
InChI=1S/C35H39NO6/c1-33-13-12-25(38)16-23(33)10-11-26-27-17-30-35(29(40)19-37,34(27,2)18-28(39)31(26)33)42-32(41-30)22-8-6-20(7-9-22)14-21-4-3-5-24(36)15-21/h3-9,12-13,15-16,26-28,30-32,37,39H,10-11,14,17-19,36H2,1-2H3/t26-,27-,28-,30+,31+,32+,33-,34-,35+/m0/s1
InChIKey
MPEPSOPXQDGEHP-WWBNNTNKSA-N
Pharmaceutical Properties
Molecule Weight
569.698
Polar area
119.08
Complexity
1615.239582
xlogp Value
4.4624
Heavy Count
42
Rot Bonds
5
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) 18400 nM Undisclosed Undisclosed Undisclosed
Half Maximal Inhibitory Concentration (IC50) 2.8 nM Undisclosed Undisclosed Undisclosed
Half Maximal Inhibitory Concentration (IC50) <20 nM Undisclosed Undisclosed Undisclosed
Half Maximal Effective Concentration (EC50) 3 nM
K562 cells
Blast phase chronic myelogenous leukemia, BCR-ABL1 positive, Chronic myeloid leukemia
CVCL_0004 
Half Maximal Inhibitory Concentration (IC50) 3 nM Undisclosed Undisclosed Undisclosed
Half Maximal Inhibitory Concentration (IC50) 30000 nM Undisclosed Undisclosed Undisclosed
Half Maximal Inhibitory Concentration (IC50) >30000 nM Undisclosed Undisclosed Undisclosed
Half Maximal Inhibitory Concentration (IC50) >40000 nM Undisclosed Undisclosed Undisclosed
Half Maximal Inhibitory Concentration (IC50) >40000 nM Undisclosed Undisclosed Undisclosed
Half Maximal Inhibitory Concentration (IC50) 76 nM Undisclosed Undisclosed Undisclosed
Each Antibody-drug Conjugate Related to This Payload