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Compound Detail

CHEMBL4078601

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OB(O)c1cccc(CCN2CCN(c3nc(O)c(Cc4ccc(Cl)c(Cl)c4)s3)CC2)c1

Basic Information

ChEMBL ID CHEMBL4078601
Phase Preclinical
Structure Type MOL
InChI Key ALEYRKKETTZIRR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24BCl2N3O3S
MW 492.24

Activity Summary

IC50 1 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Autotaxin
CHEMBL3826871
IC50 7.9 7.9 12.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Autotaxin IC50 = 12.59 nM 7.9 Inhibition of mouse ATX using TG-mTMP as substrate after 2 hrs by fluorometric a... 28564542

Literature References

PubMed DOI Target Context # Activities
28564542 10.1021/acs.jmedchem.6b01224 Autotaxin 1

Data from ChEMBL 36 via Core Engine