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Compound Detail

CHEMBL229618

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CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CCCC[C@]4(C)[C@H]3CC[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229618
Phase Preclinical
Structure Type MOL
InChI Key AITSBSNXXNIPSL-PDNGUNMXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

378.6
MW (Da)
8.28
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.43
QED
1
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 C28H42
MW 378.64
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.96

Literature References

PubMed DOI Target Context # Activities
21625478 10.1371/journal.pone.0019825 Polymerase acidic protein 2
17559265 10.1021/np070045e Neutrophil 1

Data from ChEMBL 36 via Core Engine