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Compound Detail

CHEMBL1618897

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CC1=C/C(=C(/c2cc(C)c(O)c(Br)c2)c2ccccc2S(=O)(=O)O)C=C(Br)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1618897
Phase Preclinical
Structure Type MOL
InChI Key HJZFRHKAXRLQSG-XMHGGMMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

540.2
MW (Da)
5.32
ALogP
4
HBA
2
HBD
91.7
PSA (Ų)
0.51
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16Br2O5S
MW 540.23
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.03

Data from ChEMBL 36 via Core Engine