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Compound Detail

CHEMBL5498686

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CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)CNC(=O)[C@H](CS(=O)(=O)O)NC(=O)/C=C/c2csc(n2)[C@H](Cc2ccc(O)cc2)NC(=O)C1=O

Basic Information

ChEMBL ID CHEMBL5498686
Phase Preclinical
Structure Type MOL
InChI Key FUERAVABEPSEEJ-JMLTWFPGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

835.0
MW (Da)
-0.77
ALogP
13
HBA
9
HBD
305.2
PSA (Ų)
0.11
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H50N8O11S2
MW 834.97
Aromatic Rings 2
Heavy Atoms 57
NP-Likeness 0.91

Data from ChEMBL 36 via Core Engine