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Compound Detail

CHEMBL1208440

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Nc1c(S(=O)(=O)O)cc(Nc2ccc(CC(=O)O)cc2)c2c1C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208440
Phase Preclinical
Structure Type MOL
InChI Key MVALFVXXRAJWLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

452.4
MW (Da)
2.66
ALogP
7
HBA
4
HBD
163.9
PSA (Ų)
0.26
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 C22H16N2O7S
MW 452.44
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.25

Data from ChEMBL 36 via Core Engine