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Compound Detail

CHEMBL3623904

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CC[N+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)c3c(=O)n(c2=O)CCCCC[N+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)c(c(=O)n(c2=O)CCCCC1)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3623904
Phase Preclinical
Structure Type MOL
InChI Key DZSLVRSYGSLEGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

899.1
MW (Da)
7.14
ALogP
12
HBA
0
HBD
174.3
PSA (Ų)
0.10
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H70N8O8+2
MW 899.15
Aromatic Rings 4
Heavy Atoms 65
NP-Likeness -0.29

Data from ChEMBL 36 via Core Engine