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Compound Detail

CHEMBL1644084

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NCc1nccnc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21

Basic Information

ChEMBL ID CHEMBL1644084
Phase Preclinical
Structure Type MOL
InChI Key PVZYYPQMTLEPEP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
3.29
ALogP
6
HBA
2
HBD
96.6
PSA (Ų)
0.52
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 C23H25N7
MW 399.50
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
21109432 10.1016/j.bmcl.2010.11.023 Human immunodeficiency virus 1 1
21109432 10.1016/j.bmcl.2010.11.023 MT4 1

Data from ChEMBL 36 via Core Engine