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Compound Detail

CHEMBL2448381

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Cl.NCCCCNCCCNCc1ccc(B(O)O)cc1

Basic Information

ChEMBL ID CHEMBL2448381
Phase Preclinical
Structure Type MOL
InChI Key LKTNSHIEOJHVRX-UHFFFAOYSA-N
Parent Compound CHEMBL3545550
Active Moiety CHEMBL3545550
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

279.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H27BClN3O2
MW 315.65

Activity Summary

IC50 3 meas. best 4.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleic Acid
CHEMBL345
IC50 4.43 4.43 37000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nucleic Acid IC50 = 37000.0 nM 4.43 DNA binding affinity (conc to decrease the fluorescence of the ethidium bromide-... 11606130

Literature References

PubMed DOI Target Context # Activities
11606130 10.1021/jm010897q 3LL cell line 10
11606130 10.1021/jm010897q Unchecked 4
11606130 10.1021/jm010897q U-251 2
11606130 10.1021/jm010897q Nucleic Acid 1
11606130 10.1021/jm010897q CHO 1
11606130 10.1021/jm010897q CHO-MG 1

Data from ChEMBL 36 via Core Engine