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Compound Detail

CHEMBL1205943

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C=C1C(COC(C)=O)=C(C(=O)O)N2C(=O)/C(=C/C(=O)OC(C)(C)C)[C@H]2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205943
Phase Preclinical
Structure Type MOL
InChI Key DSVHUBZMYCUOJT-IZIDJEDMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
0.27
ALogP
8
HBA
1
HBD
144.3
PSA (Ų)
0.39
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 C17H19NO9S
MW 413.40
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 0.43

Data from ChEMBL 36 via Core Engine