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Compound Detail

CHEMBL2221236

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O=C(NCCc1c[nH]c2ccccc12)c1ccc(OCCCC[n+]2cccc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221236
Phase Preclinical
Structure Type MOL
InChI Key UCINKAQOQOYNSL-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
5.44
ALogP
2
HBA
2
HBD
58.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30N3O2+
MW 464.59
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine