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Compound Detail

CHEMBL1183291

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COc1cccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183291
Phase Preclinical
Structure Type MOL
InChI Key SYCPGPBCEDENBL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.3
MW (Da)
3.87
ALogP
7
HBA
2
HBD
110.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14BrN3O5S2
MW 472.34
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.33

Data from ChEMBL 36 via Core Engine