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Compound Detail

CHEMBL1181373

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O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(CCCc2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181373
Phase Preclinical
Structure Type MOL
InChI Key DQBFYPYEOZRLHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

602.7
MW (Da)
4.59
ALogP
4
HBA
0
HBD
82.5
PSA (Ų)
0.12
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H38N4O4+2
MW 602.74
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -0.30

Data from ChEMBL 36 via Core Engine