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Compound Detail

CHEMBL1205474

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O=C(O)C[C@H](O)CC(O)COc1c(Cl)cc(Cl)cc1CC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205474
Phase Preclinical
Structure Type MOL
InChI Key JFBQKTMQLRVNBD-AAFJCEBUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.3
MW (Da)
4.08
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.58
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 C19H26Cl2O5
MW 405.32
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.04

Data from ChEMBL 36 via Core Engine