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Compound Detail

CHEMBL4116272

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CCN(CC)c1ccc(/C=C/c2cc(N3CCN(C)CC3)c3ccccc3[n+]2C)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116272
Phase Preclinical
Structure Type MOL
InChI Key QRSOCFBJIWQGBI-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.6
MW (Da)
4.14
ALogP
4
HBA
1
HBD
33.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35N4O+
MW 431.60
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine