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Compound Detail

CHEMBL1206394

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

Basic Information

ChEMBL ID CHEMBL1206394
Phase Preclinical
Structure Type MOL
InChI Key KKHROROKABOCRS-XTXQVDMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
1.07
ALogP
7
HBA
1
HBD
110.2
PSA (Ų)
0.45
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 C16H19NO7S
MW 369.40
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 0.34

Data from ChEMBL 36 via Core Engine