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Compound Detail

CHEMBL3606093

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CCC[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](CCC)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3606093
Phase Preclinical
Structure Type MOL
InChI Key VWOQMXJBIJWKBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

546.8
MW (Da)
8.73
ALogP
2
HBA
0
HBD
17.6
PSA (Ų)
0.10
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H46N4+2
MW 546.80
Aromatic Rings 6
Heavy Atoms 41
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine