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Compound Detail

CHEMBL3410121

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CN1CCN(c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410121
Phase Preclinical
Structure Type MOL
InChI Key USUQDUGNODWINW-SAPNQHFASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
3.38
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.74
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 C21H21N5
MW 343.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.60

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
31893548 10.1016/j.ejmech.2019.112010 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine