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Compound Detail

CHEMBL3590664

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COc1cccc(-c2ccc(C#Cc3cccc(C#Cc4ccc(-c5cccc(OC)c5)cc4)[n+]3C)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3590664
Phase Preclinical
Structure Type MOL
InChI Key PKYUVZKEQDQAGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
6.66
ALogP
2
HBA
0
HBD
22.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H28NO2+
MW 506.63
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine