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Compound Detail

CHEMBL1207170

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

Basic Information

ChEMBL ID CHEMBL1207170
Phase Preclinical
Structure Type MOL
InChI Key QRWSTYNVUSOOET-AUXFESMGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.3
MW (Da)
-0.99
ALogP
7
HBA
2
HBD
155.3
PSA (Ų)
0.37
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 C13H11NO9S
MW 357.30
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 0.63

Data from ChEMBL 36 via Core Engine