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Compound Detail

CHEMBL1205944

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N#CCC1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)C2S(=O)(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205944
Phase Preclinical
Structure Type MOL
InChI Key WKDJMGVXHDSVDO-XFFZJAGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
0.31
ALogP
6
HBA
1
HBD
128.4
PSA (Ų)
0.62
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 C15H11N3O5S
MW 345.34
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine