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Compound Detail

CHEMBL5766179

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O=C(Nc1nnc(CCc2ccc(Cl)cc2)s1)[C@H]1CC(=O)N(c2ccc(CN3CCC4(COC4)C3)cc2)C1.S

Basic Information

ChEMBL ID CHEMBL5766179
Phase Preclinical
Structure Type MOL
InChI Key XWSWFMXIQRLTMZ-BOXHHOBZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

586.2
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32ClN5O3S2
MW 586.18

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Autotaxin
CHEMBL3691
IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Autotaxin IC50 = 1.0 nM 9.0 Quanta Red Assay: Measuring ATX activity using an enzyme coupled Quanta Red assa... -

Data from ChEMBL 36 via Core Engine