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Compound Detail

CHEMBL4302802

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C[N+](C)(CC#CCOc1ccon1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302802
Phase Preclinical
Structure Type MOL
InChI Key DUYFIXVQFPFCJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

524.7
MW (Da)
4.24
ALogP
5
HBA
0
HBD
72.6
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 C30H44N4O4+2
MW 524.71
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine