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Compound Detail

CHEMBL4300796

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COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300796
Phase Preclinical
Structure Type MOL
InChI Key VXXMODCVCHGPFW-UCVVUYRJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
6.78
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H29FO4
MW 460.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.32

Data from ChEMBL 36 via Core Engine