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Compound Detail

CHEMBL1186972

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c1cc2nc3ccc(N4CCOCC4)cc3[o+]c2cc1N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186972
Phase Preclinical
Structure Type MOL
InChI Key ZYJUWDHTWCXDPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
2.94
ALogP
5
HBA
0
HBD
49.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N3O3+
MW 352.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine