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Compound Detail

CHEMBL1193072

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C=CCN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193072
Phase Preclinical
Structure Type MOL
InChI Key WPEMGBZDSSTCNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
5.15
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.73
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21NO
MW 315.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.16

Data from ChEMBL 36 via Core Engine