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Compound Detail

CHEMBL3410128

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CN(C)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410128
Phase Preclinical
Structure Type MOL
InChI Key KXQKMVJSJJLDKB-UKTHLTGXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.40
ALogP
4
HBA
2
HBD
75.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O
MW 304.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
25847768 10.1016/j.ejmech.2015.03.050 Human immunodeficiency virus 1 1
25847768 10.1016/j.ejmech.2015.03.050 Unchecked 1
25847768 10.1016/j.ejmech.2015.03.050 H9 1

Data from ChEMBL 36 via Core Engine