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Compound Detail

CHEMBL118418

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O=C(O)CCCCCCCCCc1nc(-c2ccccc2)c(-c2ccccc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118418
Phase Preclinical
Structure Type MOL
InChI Key MZVBEWXEXHGNRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
6.76
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.35
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 C25H29NO3
MW 391.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
1404230 10.1021/jm00097a006 Unchecked 1

Data from ChEMBL 36 via Core Engine