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Compound Detail

CHEMBL1204630

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C[C@]1(/C=C/C#N)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204630
Phase Preclinical
Structure Type MOL
InChI Key JYGFUXUBGZBBAC-RCRIAUEHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
-0.74
ALogP
5
HBA
1
HBD
115.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10N2O5S
MW 270.27
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.67

Data from ChEMBL 36 via Core Engine