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Compound Detail

CHEMBL1402279

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COc1cc(/C=C(\C#N)C(N)=O)ccc1OS(=O)(=O)c1ccc(C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1402279
Phase Preclinical
Structure Type MOL
InChI Key NUZCZZRTNXONGS-NTEUORMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
2.16
ALogP
6
HBA
1
HBD
119.5
PSA (Ų)
0.47
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 C18H16N2O5S
MW 372.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.70

Data from ChEMBL 36 via Core Engine