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Compound Detail

CHEMBL202178

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

Basic Information

ChEMBL ID CHEMBL202178
Phase Preclinical
Structure Type MOL
InChI Key JJKQDFKMJLGNCC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

268.4
MW (Da)
4.48
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.81
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 C17H20N2O
MW 268.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.72

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