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Compound Detail

CHEMBL1204658

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CC(=O)OCC1=C(C(=O)O)N2C(=O)/C(=C\Br)[C@H]2SC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204658
Phase Preclinical
Structure Type MOL
InChI Key LEADWAGQWAFRFE-CYZOPGGISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.2
MW (Da)
1.08
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.47
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 C11H10BrNO5S
MW 348.17
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.64

Data from ChEMBL 36 via Core Engine