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Compound Detail

CHEMBL3410130

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CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410130
Phase Preclinical
Structure Type MOL
InChI Key IYLKGMRXPCPEJK-SAPNQHFASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.48
ALogP
4
HBA
0
HBD
44.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4
MW 330.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.64

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