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Compound Detail

CHEMBL1876600

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C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@](CO)(CC(=O)[O-])O2.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1876600
Phase Preclinical
Structure Type MOL
InChI Key ROHGYWMKINVDIW-YHUNHIDCSA-M
Parent Compound CHEMBL1907374
Active Moiety CHEMBL1907374
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
1.95
ALogP
5
HBA
4
HBD
107.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H33NaO6
MW 392.47
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 2.57

Data from ChEMBL 36 via Core Engine