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Compound Detail

CHEMBL1205478

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O=C(O)C[C@H](O)CC(O)COc1c(Cl)cc(Cl)cc1C(=O)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205478
Phase Preclinical
Structure Type MOL
InChI Key PEXIVRSEMGWJFU-KWCCSABGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.3
MW (Da)
3.72
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24Cl2O6
MW 419.30
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine