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Compound Detail

CHEMBL1205678

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O=C(O)COc1cccc(CC2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205678
Phase Preclinical
Structure Type MOL
InChI Key DRYRSZJMPVXTOL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
7.04
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H27NO4
MW 465.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine