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Compound Detail

CHEMBL5408154

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C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OCCC)cc(CCCCC)cc1OCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5408154
Phase Preclinical
Structure Type MOL
InChI Key QOZKBRBDXMCRBD-BJKOFHAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.6
MW (Da)
8.01
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H42O2
MW 398.63
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 1.31

Literature References

PubMed DOI Target Context # Activities
37531582 10.1021/acs.jmedchem.3c01029 BV-2 2

Data from ChEMBL 36 via Core Engine