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Compound Detail

CHEMBL1620480

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CCOc1cc(N2CCOCC2)c(OCC)cc1NC1=NCCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1620480
Phase Preclinical
Structure Type MOL
InChI Key HVSHIYJPTYPFNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
3.71
ALogP
6
HBA
1
HBD
55.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31N3O3
MW 361.49
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine