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Compound Detail

CHEMBL1622570

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CCCCCCCCCCOC(=O)C[n+]1c(COc2ccc(C)cc2)n(C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1622570
Phase Preclinical
Structure Type MOL
InChI Key GYPJLVSMXMRBEE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.6
MW (Da)
6.04
ALogP
4
HBA
0
HBD
44.3
PSA (Ų)
0.17
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 C28H39N2O3+
MW 451.63
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine