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Compound Detail

CHEMBL1198426

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CCCCS(=O)(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198426
Phase Preclinical
Structure Type MOL
InChI Key NLIMEOCXLLFNED-USZFVNFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
5.39
ALogP
5
HBA
0
HBD
63.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35NO4S
MW 457.64
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.15

Data from ChEMBL 36 via Core Engine