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Compound Detail

CHEMBL1535015

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COc1ccc(Br)cc1S(=O)(=O)n1cc(C(N)=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1535015
Phase Preclinical
Structure Type MOL
InChI Key ILUZRESFJBTKQI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.3
MW (Da)
2.75
ALogP
5
HBA
1
HBD
91.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13BrN2O4S
MW 409.26
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.19

Data from ChEMBL 36 via Core Engine