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Compound Detail

CHEMBL4300836

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C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300836
Phase Preclinical
Structure Type MOL
InChI Key XTCJXROQUZIPOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

540.8
MW (Da)
4.31
ALogP
5
HBA
0
HBD
68.2
PSA (Ų)
0.14
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H48N4O4+2
MW 540.75
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine