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Compound Detail

CHEMBL3781029

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C=C1C[C@@]23CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]2C[C@@H]1[C@@H](O)C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3781029
Phase Preclinical
Structure Type MOL
InChI Key UQKJSKXVMBIKGF-IAPRJYDESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.30
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H28O3
MW 316.44
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 3.43

Literature References

PubMed DOI Target Context # Activities
26702644 10.1021/acs.jnatprod.5b00789 RAW264.7 2
37796721 10.1021/acs.jnatprod.3c00580 Potassium voltage-gated channel subfamily A member 3 2
37796721 10.1021/acs.jnatprod.3c00580 Voltage-gated inwardly rectifying potassium channel KCNH2 2
30730729 10.1021/acs.jnatprod.8b00493 BV-2 1
37796721 10.1021/acs.jnatprod.3c00580 HEK293 1

Data from ChEMBL 36 via Core Engine