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Compound Detail

CHEMBL1739790

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CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1739790
Phase Preclinical
Structure Type MOL
InChI Key VYYRJGKHDDYUGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.7
MW (Da)
6.80
ALogP
2
HBA
0
HBD
9.5
PSA (Ų)
0.36
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 C31H42N3+
MW 456.70
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine