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Compound Detail

CHEMBL5205700

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COc1cc(C2=NN(c3ccccn3)C(=O)C2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5205700
Phase Preclinical
Structure Type MOL
InChI Key GSQQBURRFMUTKN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
2.25
ALogP
6
HBA
0
HBD
73.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O4
MW 327.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.69

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