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Compound Detail

CHEMBL1682873

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NCCCCN(Cc1nc2ccccc2[nH]1)Cc1ncccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1682873
Phase Preclinical
Structure Type MOL
InChI Key JJGIMBLFDDBAOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.40
ALogP
5
HBA
3
HBD
91.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N5O
MW 325.42
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
21295470 10.1016/j.bmcl.2011.01.021 Human immunodeficiency virus 1 1
21295470 10.1016/j.bmcl.2011.01.021 MT4 1

Data from ChEMBL 36 via Core Engine