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Compound Detail

CHEMBL246864

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O=C(O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246864
Phase Preclinical
Structure Type MOL
InChI Key VRFWYLDPDZEWMT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
3.45
ALogP
5
HBA
1
HBD
88.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12N4O2
MW 328.33
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
20485427 10.1038/nature09107 Plasmodium falciparum 4
17258458 10.1016/j.bmcl.2006.12.103 Unchecked 1
20485427 10.1038/nature09107 HepG2 1
20485427 10.1038/nature09107 Unchecked 1
21478016 10.1016/j.bmcl.2011.03.042 Unchecked 1
21478016 10.1016/j.bmcl.2011.03.042 Nucleic Acid 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