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Compound Detail

CHEMBL3410114

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CC(C)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410114
Phase Preclinical
Structure Type MOL
InChI Key TWIHSZAKIQLGOH-LFIBNONCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
4.75
ALogP
2
HBA
1
HBD
52.5
PSA (Ų)
0.71
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 C19H17N3
MW 287.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.28

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