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Compound Detail

CHEMBL1178342

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CCCC[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178342
Phase Preclinical
Structure Type MOL
InChI Key YBCNXCRZPWQOBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
2.23
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H30NO4+
MW 360.47
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 1.00

Data from ChEMBL 36 via Core Engine