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Compound Detail

CHEMBL1852217

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CC1(C)CCC[C@]2(C)[C@H]3CC/C(=C\OS(=O)(=O)O)[C@H](CCC4=CC(=O)O[C@@H]4O)[C@@]3(C)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1852217
Phase Preclinical
Structure Type MOL
InChI Key XJAHYWMEEPSAKY-DZFRPBPISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
4.93
ALogP
6
HBA
2
HBD
110.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H38O7S
MW 482.64
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 3.27

Data from ChEMBL 36 via Core Engine