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Compound Detail

CHEMBL1548870

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CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1

Basic Information

ChEMBL ID CHEMBL1548870
Phase Preclinical
Structure Type MOL
InChI Key SAJPRXMLKBKOLO-JXMROGBWSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.06
ALogP
5
HBA
2
HBD
105.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O5S
MW 348.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.40

Activity Summary

IC50 2 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1
CHEMBL2097170
IC50 5.66 5.41 2190.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine