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Compound Detail

CHEMBL398799

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C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]4(O)C[C@@H](Br)CC[C@]34C)[C@@H]1CCC(=O)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL398799
Phase Preclinical
Structure Type MOL
InChI Key LQJBTOOIUSOKCJ-UFTZPVOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.3
MW (Da)
3.38
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27BrO4
MW 399.33
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 2.64

Literature References

PubMed DOI Target Context # Activities
17892941 10.1016/j.bmc.2007.09.012 J774.A1 1

Data from ChEMBL 36 via Core Engine