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Compound Detail

CHEMBL3040272

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O=C(O)COc1cccc(C[C@@H]2CCC[C@H]3O[C@]23c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040272
Phase Preclinical
Structure Type MOL
InChI Key XQSDEHHCLDLVST-WJTPSBSESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
6.11
ALogP
5
HBA
1
HBD
85.1
PSA (Ų)
0.31
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 C30H27NO5
MW 481.55
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.15

Data from ChEMBL 36 via Core Engine