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Compound Detail

CHEMBL1179492

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CCN1/C(=C/C=C/c2oc3ccccc3[n+]2CC)Oc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179492
Phase Preclinical
Structure Type MOL
InChI Key VZUFSMBGWBLOCB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
4.51
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N2O2+
MW 333.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine