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Compound Detail

CHEMBL1616618

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COc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccc(C)cc3)cc2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1616618
Phase Preclinical
Structure Type MOL
InChI Key DAIJKYBWCCHUQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
7.28
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H26NO+
MW 428.56
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine