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Compound Detail

CHEMBL4116989

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CN(C)CCCNC(=O)COc1ccc2oc3c(NCCCN(C)C)c4ccccc4[n+](C)c3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116989
Phase Preclinical
Structure Type MOL
InChI Key SQSPGTAJEWFGEJ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
3.37
ALogP
6
HBA
2
HBD
73.9
PSA (Ų)
0.23
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38N5O3+
MW 492.64
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine