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Compound Detail

CHEMBL3654443

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CC1(C)OB(c2ccccc2CCSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)OC1(C)C

Basic Information

ChEMBL ID CHEMBL3654443
Phase Preclinical
Structure Type MOL
InChI Key OLWUHRKWRPFSRU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28BFN2O3S
MW 478.40

Activity Summary

IC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-X-C chemokine receptor type 2
CHEMBL2434
IC50 6.21 6.21 611.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C-X-C chemokine receptor type 2 IC50 = 611.0 nM 6.21 In Vitro Inhibition Assay: An in vitro assay showed inhibition of CXCR2-mediated... -

Data from ChEMBL 36 via Core Engine