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Compound Detail

CHEMBL168783

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c1cc(C2=NCCO2)ccc1OCCCCCN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL168783
Phase Preclinical
Structure Type MOL
InChI Key JPACMJTWPJXOOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
3.11
ALogP
4
HBA
0
HBD
34.1
PSA (Ų)
0.69
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 C18H26N2O2
MW 302.42
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.87

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