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Compound Detail

CHEMBL1625353

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Cc1cccc(OCc2n(C)c3ccccc3[n+]2CC(=O)OC2CC(C)CCC2C(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1625353
Phase Preclinical
Structure Type MOL
InChI Key UMEWCIAJSNIUJY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
5.36
ALogP
4
HBA
0
HBD
44.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37N2O3+
MW 449.62
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine