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Compound Detail

CHEMBL1632227

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Cc1cc(C#CC2CC2)cc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1632227
Phase Preclinical
Structure Type MOL
InChI Key YHKYXESJKJFVCH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
5.78
ALogP
6
HBA
1
HBD
101.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20N4O3
MW 424.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
21049929 10.1021/jm100738d Human immunodeficiency virus 1 2

Data from ChEMBL 36 via Core Engine