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Compound Detail

CHEMBL519823

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CCCCOc1cc(Cn2c3ccccc3c(=O)c3ccccc32)cc(OCCCC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519823
Phase Preclinical
Structure Type MOL
InChI Key LDRMISHUNLHRJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.6
MW (Da)
6.56
ALogP
4
HBA
0
HBD
40.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31NO3
MW 429.56
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
18713666 10.1016/j.bmc.2008.07.086 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine