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Compound Detail

CHEMBL1178286

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CCCCCCC(C)OC(=O)CC(=O)C[n+]1ccc(/C=C/c2cccc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178286
Phase Preclinical
Structure Type MOL
InChI Key PWVDOQNTUBABHM-FOCLMDBBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
6.16
ALogP
3
HBA
0
HBD
47.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34NO3+
MW 444.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.18

Data from ChEMBL 36 via Core Engine