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Compound Detail

CHEMBL487783

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CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL487783
Phase Preclinical
Structure Type MOL
InChI Key JZVFJDZBLUFKCA-FXIAWGAOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

412.7
MW (Da)
7.80
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H48O
MW 412.70
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 2.85

Literature References

PubMed DOI Target Context # Activities
31682126 10.1021/acs.jnatprod.9b00735 PANC-1 2
18926710 10.1016/j.bmc.2008.09.021 Nitric oxide synthase, inducible 1
18926710 10.1016/j.bmc.2008.09.021 Unchecked 1
22264115 10.1021/np200646e No relevant target 1
22264115 10.1021/np200646e Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine