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Compound Detail

CHEMBL599453

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O=C(COc1ccccc1)Nc1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL599453
Phase Preclinical
Structure Type MOL
InChI Key NOQLIKOFQQCAJF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
3.86
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15NO2
MW 277.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
20151670 10.1021/jm901558p Epidermal growth factor receptor 5
20151670 10.1021/jm901558p A-431 1

Data from ChEMBL 36 via Core Engine