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Compound Detail

CHEMBL1733824

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CCCCN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1Br)CC(C)N2C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1733824
Phase Preclinical
Structure Type MOL
InChI Key CVFUETLCFVWKPL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.4
MW (Da)
4.74
ALogP
3
HBA
0
HBD
57.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27BrN2O3S
MW 479.44
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 4.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.9 4.9 12553.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 12553.0 nM 4.9 PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... -

Data from ChEMBL 36 via Core Engine