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Compound Detail

CHEMBL1180608

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Oc1ccc2c(c1)OC(CNC1CCCCC1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180608
Phase Preclinical
Structure Type MOL
InChI Key AFXVAXQMGUXVBX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
3.01
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23NO2
MW 261.36
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.64

Data from ChEMBL 36 via Core Engine