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Compound Detail

CHEMBL2365930

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COC1=C(OC)C(=O)C(CCCCCCCCCCn2cc[n+](Cc3ccccc3)c2)=C(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2365930
Phase Preclinical
Structure Type MOL
InChI Key SCFKBWHSIVLUPV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.6
MW (Da)
5.31
ALogP
5
HBA
0
HBD
61.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39N2O4+
MW 479.64
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.48

Data from ChEMBL 36 via Core Engine