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Compound Detail

CHEMBL5195841

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O=C1CC(c2cccc(Cl)c2)=NN1c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5195841
Phase Preclinical
Structure Type MOL
InChI Key NPWRMCWUUORVQS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.7
MW (Da)
2.88
ALogP
3
HBA
0
HBD
45.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10ClN3O
MW 271.71
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.63

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