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Compound Detail

CHEMBL4300393

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CNCC(O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300393
Phase Preclinical
Structure Type MOL
InChI Key PEGHMMZBVHAFKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
0.72
ALogP
5
HBA
3
HBD
87.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H24N2O4S
MW 316.42
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine