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Compound Detail

CHEMBL1621215

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CC1(C)CC(N2CCOCC2)=CC(=[N+]2CCOCC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1621215
Phase Preclinical
Structure Type MOL
InChI Key GIJYIOLGBVKZFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

279.4
MW (Da)
1.51
ALogP
3
HBA
0
HBD
24.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27N2O2+
MW 279.40
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine