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Compound Detail

CHEMBL1962872

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O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962872
Phase Preclinical
Structure Type MOL
InChI Key DNAVFAFMJIQKJV-PXDATVDWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
4.41
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29NO2
MW 387.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.39

Data from ChEMBL 36 via Core Engine