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Compound Detail

CHEMBL5184739

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O=C1CC(c2ccccn2)=NN1c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184739
Phase Preclinical
Structure Type MOL
InChI Key KAEAPJMDTNGFFX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
1.62
ALogP
4
HBA
0
HBD
58.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10N4O
MW 238.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
35429911 10.1016/j.ejmech.2022.114343 Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine