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Compound Detail

CHEMBL1229237

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OCC[N+]12CCC(CC1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1229237
Phase Preclinical
Structure Type MOL
InChI Key YXRSXQYDQQCXQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

156.2
MW (Da)
0.61
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.58
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 C9H18NO+
MW 156.25
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.65

Data from ChEMBL 36 via Core Engine