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Compound Detail

CHEMBL3804888

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CCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3804888
Phase Preclinical
Structure Type MOL
InChI Key ZAZAIALTWQJJND-BSDSXHPESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

274.4
MW (Da)
3.29
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H30N2
MW 274.45
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.87

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