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Compound Detail

CHEMBL3920521

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O=C(O)CCCCCC[C@H]1C(=O)CC[C@@H]1c1ccc(C(O)C2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3920521
Phase Preclinical
Structure Type MOL
InChI Key FLFZVSDHXMCUKI-QQMHWKEJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.6
MW (Da)
5.79
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36O4
MW 400.56
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.68

Data from ChEMBL 36 via Core Engine