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Compound Detail

CHEMBL4302546

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COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302546
Phase Preclinical
Structure Type MOL
InChI Key TXTCMJPIDSBHRM-WBNPGJJWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
6.18
ALogP
4
HBA
1
HBD
68.7
PSA (Ų)
0.46
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 C28H28FNO4
MW 461.53
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.12

Data from ChEMBL 36 via Core Engine