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Compound Detail

CHEMBL4117522

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CN(C)CCCNc1c2ccccc2[n+](C)c2c1oc1ccc(OCC3CC[N+](C)(C)CC3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117522
Phase Preclinical
Structure Type MOL
InChI Key FXYKXTOSLBXKAE-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.7
MW (Da)
4.79
ALogP
4
HBA
1
HBD
41.5
PSA (Ų)
0.23
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H40N4O2+2
MW 476.67
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.13

Data from ChEMBL 36 via Core Engine