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Compound Detail

CHEMBL4117386

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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(OC(=O)c1ccccc1)S(=O)(=O)O

Basic Information

ChEMBL ID CHEMBL4117386
Phase Preclinical
Structure Type MOL
InChI Key LGEDBWPPZRUMDA-BMZHVFJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

589.7
MW (Da)
2.41
ALogP
8
HBA
4
HBD
177.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35N3O9S
MW 589.67
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 0.16

Data from ChEMBL 36 via Core Engine