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Compound Detail

CHEMBL1205050

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CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205050
Phase Preclinical
Structure Type MOL
InChI Key XXPPVQBZMBJKKA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
4.54
ALogP
4
HBA
2
HBD
100.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NO5S2
MW 447.58
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine