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Compound Detail

CHEMBL37569

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COc1ccc([Se](=O)(=O)CCCl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL37569
Phase Preclinical
Structure Type MOL
InChI Key VJFTYXHGBNUDEG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

281.6
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11ClO3Se
MW 281.60

Activity Summary

IC50 2 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CCRF-CEM
CHEMBL382
 IC50 6.85 6.85 140.0 1
L1210
CHEMBL386
 IC50 6.44 6.44 360.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 9.25 hr -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CCRF-CEM IC50 = 140.0 nM 6.85 In vitro growth inhibition against CCRF-CEM human lymphoblast cells 2342050
L1210 IC50 = 360.0 nM 6.44 In vitro growth inhibition against L1210 murine leukemia cells 2342050

Literature References

PubMed DOI Target Context # Activities
2342050 10.1021/jm00168a003 ADMET 2
2342050 10.1021/jm00168a003 L1210 1
2342050 10.1021/jm00168a003 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine