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Compound Detail

CHEMBL586065

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CCCN(CCC)C(=S)N/N=C1/C(=O)Nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL586065
Phase Preclinical
Structure Type MOL
InChI Key ACNQIKKZXGUYSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
2.34
ALogP
3
HBA
2
HBD
56.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N4OS
MW 304.42
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
20485427 10.1038/nature09107 Plasmodium falciparum 4
20485427 10.1038/nature09107 HepG2 1
20485427 10.1038/nature09107 Unchecked 1
21356589 10.1016/j.bmcl.2011.02.037 Human alphaherpesvirus 1 1
21356589 10.1016/j.bmcl.2011.02.037 Human alphaherpesvirus 2 1
21356589 10.1016/j.bmcl.2011.02.037 RD 1
- 10.6019/CHEMBL3433997 Solute carrier family 2, facilitated glucose transporter member 1 1
- 10.6019/CHEMBL3433997 Hexose transporter 1 1
- 10.6019/CHEMBL3433997 Glucose transporter 1

Data from ChEMBL 36 via Core Engine