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Compound Detail

CHEMBL4088075

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CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(CC=C(C)C)C5=O)C3=O)C=CC(C)(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088075
Phase Preclinical
Structure Type MOL
InChI Key VZQQLPACAVHZQT-HMEMLMEYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

530.7
MW (Da)
6.45
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.45
QED
2
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 C33H38O6
MW 530.66
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 3.62

Literature References

PubMed DOI Target Context # Activities
28318895 10.1016/j.bmc.2017.03.010 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine