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Compound Detail

CHEMBL1812152

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c1ccc(-c2nc3cc4c5c(cccc5c3o2)CCO4)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812152
Phase Preclinical
Structure Type MOL
InChI Key IPNWAQLNDHRWON-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
4.58
ALogP
3
HBA
0
HBD
35.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13NO2
MW 287.32
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
21600681 10.1016/j.ejmech.2011.04.059 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine