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Compound Detail

CHEMBL5177657

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CN(CCCNc1c2ccccc2nc2c1[nH]c1ccccc12)C(=O)c1cccc(B(O)O)c1

Basic Information

ChEMBL ID CHEMBL5177657
Phase Preclinical
Structure Type MOL
InChI Key CGHGLKDXNVWKPP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.3
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25BN4O3
MW 452.32

Activity Summary

IC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HCT-116
CHEMBL394
IC50 4.8 4.8 15700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HCT-116 IC50 = 15700.0 nM 4.8 Antiproliferative activity against human HCT-116 cells assessed as cell growth i... 34710743

Literature References

PubMed DOI Target Context # Activities
34710743 10.1016/j.ejmech.2021.113938 HCT-116 1

Data from ChEMBL 36 via Core Engine