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Compound Detail

CHEMBL441415

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CC(CS)C(=O)N(CC(=O)O)C1CCC(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441415
Phase Preclinical
Structure Type MOL
InChI Key AKTMWIHHSPYFEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.5
MW (Da)
3.19
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25NO3S
MW 335.47
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine