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Compound Detail

CHEMBL5418536

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C[C@@H]1C(=O)N(C)c2ccc(-c3nc(C(=O)N4CCN(C(=O)c5nc(-c6ccc7c(c6)N(C6CCCC6)[C@H](C)C(=O)N7C)n(-c6ccc7ccccc7c6)n5)CC4)nn3-c3ccc4ccccc4c3)cc2N1C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5418536
Phase Preclinical
Structure Type MOL
InChI Key CNJRYWBQSXDHAV-XPSQVAKYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1013.2
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C60H60N12O4
MW 1013.22

Activity Summary

IC50 2 meas. best 9.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MM1.S
CHEMBL4296471
 IC50 9.29 9.29 0.5 1
Ty-82
CHEMBL5465452
 IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MM1.S IC50 = 0.51 nM 9.29 Antiproliferative activity against human MM1.S cells incubated for 72 hrs by sul... 35714446
Ty-82 IC50 = 0.6 nM 9.22 Antiproliferative activity against human Ty-82 cells incubated for 72 hrs by sul... 35714446

Literature References

PubMed DOI Target Context # Activities
35714446 10.1016/j.ejmech.2022.114519 Ty-82 1
35714446 10.1016/j.ejmech.2022.114519 MM1.S 1

Data from ChEMBL 36 via Core Engine