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Compound Detail

CHEMBL2079469

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CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079469
Phase Preclinical
Structure Type MOL
InChI Key BYYWXHGQMZFTEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
6.15
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.31
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 C28H32FNO4
MW 465.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine