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Compound Detail

CHEMBL4301726

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COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301726
Phase Preclinical
Structure Type MOL
InChI Key CIELMKOHPRHCJE-BRVHTZCVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
6.32
ALogP
4
HBA
1
HBD
68.7
PSA (Ų)
0.43
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 C28H27F2NO4
MW 479.52
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.05

Data from ChEMBL 36 via Core Engine