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Compound Detail

CHEMBL1629983

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CCOP(=O)(CCN1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1629983
Phase Preclinical
Structure Type MOL
InChI Key KNHYTBXWQYRMRI-JFMUQQRKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
4.09
ALogP
7
HBA
0
HBD
81.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N3O4P
MW 441.47
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
21035234 10.1016/j.ejmech.2010.09.058 NON-PROTEIN TARGET 3
21035234 10.1016/j.ejmech.2010.09.058 A549 1

Data from ChEMBL 36 via Core Engine