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Compound Detail

CHEMBL3918028

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O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(C(O)C2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3918028
Phase Preclinical
Structure Type MOL
InChI Key JFCUIZFHNHUFLO-BUYFTJNASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
4.54
ALogP
4
HBA
3
HBD
94.8
PSA (Ų)
0.41
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 C25H34O5
MW 414.54
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.12

Data from ChEMBL 36 via Core Engine