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Compound Detail

CHEMBL2111310

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CC(C)c1c(CCC(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)cn1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2111310
Phase Preclinical
Structure Type MOL
InChI Key UBFHWBHHCSSZAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
4.93
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30FNO4
MW 439.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine