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Compound Detail

CHEMBL3546936

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COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOCCOC(=O)CN)c(-c3cccc(F)c3)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546936
Phase Preclinical
Structure Type MOL
InChI Key ZZYJHNUULCMTJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

541.5
MW (Da)
3.68
ALogP
10
HBA
1
HBD
128.7
PSA (Ų)
0.16
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28FNO9
MW 541.53
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness 0.01

Data from ChEMBL 36 via Core Engine