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Compound Detail

CHEMBL1185855

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C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185855
Phase Preclinical
Structure Type MOL
InChI Key RBSYSCZOOJPKGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.5
MW (Da)
3.09
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31N2O+
MW 339.50
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine