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Compound Detail

CHEMBL1989547

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c1ccc2c(c1)ncn2C1CCCCO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1989547
Phase Preclinical
Structure Type MOL
InChI Key QTXPGEFPJIMPQF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

202.3
MW (Da)
2.74
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N2O
MW 202.26
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
25082514 10.1016/j.bmc.2014.06.043 MT4 1
25082514 10.1016/j.bmc.2014.06.043 Human immunodeficiency virus 1 1
25082514 10.1016/j.bmc.2014.06.043 ADMET 1
25082514 10.1016/j.bmc.2014.06.043 Bovine viral diarrhea virus 1 1
25082514 10.1016/j.bmc.2014.06.043 NON-PROTEIN TARGET 1
25082514 10.1016/j.bmc.2014.06.043 Yellow fever virus 1

Data from ChEMBL 36 via Core Engine