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Compound Detail

CHEMBL5189880

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CNc1ncnc2[nH]ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5189880
Phase Preclinical
Structure Type MOL
InChI Key AXWBJJJQRJBTMI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

148.2
MW (Da)
1.00
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H8N4
MW 148.17
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
35144125 10.1016/j.ejmech.2022.114165 MRC5 1
35144125 10.1016/j.ejmech.2022.114165 Trypanosoma cruzi 1
35144125 10.1016/j.ejmech.2022.114165 Leishmania infantum 1
35144125 10.1016/j.ejmech.2022.114165 Macrophage 1

Data from ChEMBL 36 via Core Engine