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Compound Detail

CHEMBL3139013

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Oc1cccc2c1C[C@H]1OCCN(CC3CC3)[C@@H]1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139013
Phase Preclinical
Structure Type MOL
InChI Key CJBYLTVVRIPQAN-GDBMZVCRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
1.97
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21NO2
MW 259.35
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.36

Data from ChEMBL 36 via Core Engine