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Compound Detail

CHEMBL2219574

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Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219574
Phase Preclinical
Structure Type MOL
InChI Key FYXAELWPGJBHPL-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

540.8
MW (Da)
8.51
ALogP
2
HBA
2
HBD
59.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H52N4+2
MW 540.84
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine