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Compound Detail

CHEMBL5181468

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COc1ccc(C2=NN(c3ccccn3)C(=O)C2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5181468
Phase Preclinical
Structure Type MOL
InChI Key DHTCRKCUHJZJJM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.7
MW (Da)
2.88
ALogP
4
HBA
0
HBD
54.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12ClN3O2
MW 301.73
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.36

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