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Compound Detail

CHEMBL1179107

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C=CC[N+](C)(C)c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179107
Phase Preclinical
Structure Type MOL
InChI Key NBCQROXLJLVMLS-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

178.3
MW (Da)
2.15
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16NO+
MW 178.26
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.80

Data from ChEMBL 36 via Core Engine