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Compound Detail

CHEMBL3978583

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COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(C2(O)CCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3978583
Phase Preclinical
Structure Type MOL
InChI Key AETUZWCDUUSBRC-NEXMAASUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
3.38
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.41
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 C23H30O5
MW 386.49
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.46

Data from ChEMBL 36 via Core Engine