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Compound Detail

CHEMBL201151

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CC(C)=CCOc1cc(Nc2ccccn2)ccc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201151
Phase Preclinical
Structure Type MOL
InChI Key XFGQJPWPECUBQJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
4.04
ALogP
4
HBA
1
HBD
57.9
PSA (Ų)
0.84
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 C17H17N3O
MW 279.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
16263277 10.1016/j.bmcl.2005.10.038 Human immunodeficiency virus 1 1
16263277 10.1016/j.bmcl.2005.10.038 MT2 1
16298131 10.1016/j.bmcl.2005.10.037 Human immunodeficiency virus 1 1
16298131 10.1016/j.bmcl.2005.10.037 MT2 1

Data from ChEMBL 36 via Core Engine