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Compound Detail

CHEMBL4117388

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COC(=O)C(C)NC(=O)OC([C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)S(=O)(=O)O

Basic Information

ChEMBL ID CHEMBL4117388
Phase Preclinical
Structure Type MOL
InChI Key WBEAAKSGVVXLQF-DJAGYCDJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

614.7
MW (Da)
0.84
ALogP
10
HBA
5
HBD
215.5
PSA (Ų)
0.11
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H38N4O11S
MW 614.67
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness 0.13

Data from ChEMBL 36 via Core Engine