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Compound Detail

CHEMBL1207153

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C=C1C(/C=C/C(=O)OC)=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)C2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207153
Phase Preclinical
Structure Type MOL
InChI Key DAYBNOSIKVHNGR-PXBDENQTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
0.64
ALogP
7
HBA
1
HBD
130.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O7S
MW 402.38
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine