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Compound Detail

CHEMBL1205493

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Cc1c(OCC(O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205493
Phase Preclinical
Structure Type MOL
InChI Key CCRSFINJHYPQQP-TZHYSIJRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
3.31
ALogP
5
HBA
3
HBD
99.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22FNO5
MW 399.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine