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Compound Detail

CHEMBL1205166

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C[C@]1(/C=C/C#N)[C@H](C(=O)O)N2C(=O)/C(=C/C(=O)O)C2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205166
Phase Preclinical
Structure Type MOL
InChI Key AMADWCSEABPIKZ-XOKGFBIYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
-1.11
ALogP
6
HBA
2
HBD
152.8
PSA (Ų)
0.38
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 C12H10N2O7S
MW 326.29
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.45

Data from ChEMBL 36 via Core Engine