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Compound Detail

CHEMBL1097820

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NCCCCN(Cc1cccnc1)C1CCCc2cccnc21

Basic Information

ChEMBL ID CHEMBL1097820
Phase Preclinical
Structure Type MOL
InChI Key LENZXCAAPSRNHC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.10
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N4
MW 310.44
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
20443225 10.1016/j.bmcl.2010.03.118 Human immunodeficiency virus 1 1
20443225 10.1016/j.bmcl.2010.03.118 HOS 1

Data from ChEMBL 36 via Core Engine