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Compound Detail

CHEMBL490411

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COc1cc2c(ccc3c4ccccc4[nH]c23)cc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490411
Phase Preclinical
Structure Type MOL
InChI Key SJXRJPLVIJCTDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
4.18
ALogP
2
HBA
2
HBD
62.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13NO3
MW 291.31
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
18778936 10.1016/j.bmcl.2008.08.068 Thrombopoietin receptor 1

Data from ChEMBL 36 via Core Engine