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Compound Detail

CHEMBL1206438

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CC(=O)OCC1=C(C(=O)O)N2C(=O)/C(=C/CO)[C@H]2S(=O)(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206438
Phase Preclinical
Structure Type MOL
InChI Key BIUVASJLHVNNEP-GPWUBDCCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
-1.60
ALogP
7
HBA
2
HBD
138.3
PSA (Ų)
0.36
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 C12H13NO8S
MW 331.30
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.80

Data from ChEMBL 36 via Core Engine