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Compound Detail

CHEMBL1186976

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CCN(CC)c1ccc2nc3ccc(N4CCCC4)cc3[o+]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186976
Phase Preclinical
Structure Type MOL
InChI Key ZKCAFOZJWCPTDV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
4.71
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N3O+
MW 322.43
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.97

Data from ChEMBL 36 via Core Engine