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Compound Detail

CHEMBL3742350

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CCCCCCCCOc1ccc(C(Nc2ccccc2)c2ccc3cccnc3c2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3742350
Phase Preclinical
Structure Type MOL
InChI Key XYGZIHGPUPBUKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
7.88
ALogP
4
HBA
2
HBD
54.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34N2O2
MW 454.61
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
26706114 10.1016/j.bmc.2015.11.043 CAAX prenyl protease 2 2

Data from ChEMBL 36 via Core Engine