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Compound Detail

CHEMBL5207432

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CC(C)C1=NN(c2ccccn2)C(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5207432
Phase Preclinical
Structure Type MOL
InChI Key DSNVFXZZGWSPNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
1.83
ALogP
3
HBA
0
HBD
45.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N3O
MW 203.25
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.26

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