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Compound Detail

CHEMBL1834389

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CC(=O)c1cnc(N)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1834389
Phase Preclinical
Structure Type MOL
InChI Key LWZQQJIAMSDELT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

151.2
MW (Da)
0.57
ALogP
4
HBA
1
HBD
68.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9N3O
MW 151.17
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
30523084 10.1126/science.aat9446 Plasmodium berghei 4
30523084 10.1126/science.aat9446 HepG2-CD81 2
21875802 10.1016/j.bmcl.2011.08.001 Heat shock protein HSP 90-alpha 1

Data from ChEMBL 36 via Core Engine