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Compound Detail

CHEMBL157642

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CCCCn1ccnc1CC1COc2ccccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL157642
Phase Preclinical
Structure Type MOL
InChI Key QLPPICRVDFXXNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
3.07
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2O2
MW 272.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine