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Compound Detail

CHEMBL1204577

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CSCC[C@H](NC(=O)c1ccc(CN(CCC2CCCCC2)C(=O)OC(C)(C)C)cc1-c1ccccc1C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204577
Phase Preclinical
Structure Type MOL
InChI Key YXSNSWYENOSLMU-LJAQVGFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

582.8
MW (Da)
7.31
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H46N2O5S
MW 582.81
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine