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Compound Detail

CHEMBL1899446

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COc1cc(/C=C/c2ccc3ccccc3[n+]2C)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1899446
Phase Preclinical
Structure Type MOL
InChI Key PKAYWNWAGJBXDY-PKNBQFBNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.86
ALogP
3
HBA
0
HBD
31.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22NO3+
MW 336.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.22

Data from ChEMBL 36 via Core Engine