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Compound Detail

CHEMBL1782332

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Nc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1782332
Phase Preclinical
Structure Type MOL
InChI Key NWDOPORGKKAVMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

267.4
MW (Da)
4.22
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO
MW 267.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
19447037 10.1016/j.bmcl.2009.04.137 Bovine viral diarrhea virus 1 1
19447037 10.1016/j.bmcl.2009.04.137 ADMET 1

Data from ChEMBL 36 via Core Engine