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Compound Detail

CHEMBL1789834

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O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789834
Phase Preclinical
Structure Type MOL
InChI Key HVWRSGHRNAHPIW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.70
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O2
MW 358.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.33

Data from ChEMBL 36 via Core Engine