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Compound Detail

CHEMBL167581

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Cc1cc(C(=O)CCCCOc2ccc(C3=NCCO3)cc2)c(C)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL167581
Phase Preclinical
Structure Type MOL
InChI Key YOUSVKRVFKSQJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.84
ALogP
4
HBA
1
HBD
63.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2O3
MW 340.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
7877145 10.1021/jm00005a007 HeLa 2
7877145 10.1021/jm00005a007 Human rhinovirus sp. 2

Data from ChEMBL 36 via Core Engine