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Compound Detail

CHEMBL497348

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CCCCc1ccc(-c2ccc3c(C(C)C)c(-c4ccc(C(=O)O)c(O)c4)[nH]c3c2F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497348
Phase Preclinical
Structure Type MOL
InChI Key AXCOYOPUGNEVTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
7.51
ALogP
2
HBA
3
HBD
73.3
PSA (Ų)
0.28
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 C28H28FNO3
MW 445.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
18783949 10.1016/j.bmcl.2008.08.077 Thrombopoietin receptor 2

Data from ChEMBL 36 via Core Engine