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Compound Detail

CHEMBL4117786

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CN(C)CCNc1c2ccccc2[n+](C)c2c1oc1ccc(OCC[N+](C)(C)C)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117786
Phase Preclinical
Structure Type MOL
InChI Key XVMJEFOJHTVIOM-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
3.62
ALogP
4
HBA
1
HBD
41.5
PSA (Ų)
0.35
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 C25H34N4O2+2
MW 422.57
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine