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Compound Detail

CHEMBL1097460

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Cn1cncc1CN(CCCCN)C1CCCc2cccnc21

Basic Information

ChEMBL ID CHEMBL1097460
Phase Preclinical
Structure Type MOL
InChI Key PWHRXAWEHKKATI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
2.43
ALogP
5
HBA
1
HBD
60.0
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 C18H27N5
MW 313.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.59

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