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Compound Detail

CHEMBL1207287

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O=C(O)COc1cccc(Cc2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207287
Phase Preclinical
Structure Type MOL
InChI Key PQUXRWYYBIKQNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
6.73
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.28
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 C30H23NO4
MW 461.52
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine