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Compound Detail

CHEMBL4802377

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CC[C@H]1[C@@H](O)[C@@H]2[C@H]([C@@H](O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12

Basic Information

ChEMBL ID CHEMBL4802377
Phase Preclinical
Structure Type MOL
InChI Key BVBJNWSKDCYXOP-KBPRWNRJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

543.8
MW (Da)
3.00
ALogP
6
HBA
5
HBD
144.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H49NO7S
MW 543.77
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 1.96

Data from ChEMBL 36 via Core Engine