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Compound Detail

CHEMBL3806214

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O=C(NCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1

Basic Information

ChEMBL ID CHEMBL3806214
Phase Preclinical
Structure Type MOL
InChI Key FEIAAPCXWAHAJX-XWVZOOPGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
4.60
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34F3N3O2
MW 477.57
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
26985308 10.1021/acsmedchemlett.5b00339 Human immunodeficiency virus 1 1
26985308 10.1021/acsmedchemlett.5b00339 MT4 1

Data from ChEMBL 36 via Core Engine