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Compound Detail

CHEMBL1207139

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CC(C)(C)OC(=O)/C=C/C1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)C2S(=O)(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207139
Phase Preclinical
Structure Type MOL
InChI Key HMIPDTUGLHDMRW-FAGQLRNJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
1.30
ALogP
7
HBA
1
HBD
130.9
PSA (Ų)
0.43
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 C20H20N2O7S
MW 432.45
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine