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Compound Detail

CHEMBL1206689

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O=C(O)C1=C(c2ccccc2)CS(=O)(=O)[C@@H]2/C(=C\c3ccccn3)C(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206689
Phase Preclinical
Structure Type MOL
InChI Key UWDLJAFAXNJWCZ-RXEWJAMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
1.56
ALogP
5
HBA
1
HBD
104.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N2O5S
MW 382.40
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine