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Compound Detail

CHEMBL1181650

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C[N+]1(C)[C@H](/C=C/c2ccccc2)CCC[C@H]1/C=C/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181650
Phase Preclinical
Structure Type MOL
InChI Key WQOPRBNLTAHLNU-CHCWKLOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.5
MW (Da)
5.41
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N+
MW 318.48
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.41

Data from ChEMBL 36 via Core Engine