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Compound Detail

CHEMBL5202632

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COc1ccccc1C1=NN(c2ncc(F)cc2F)C(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202632
Phase Preclinical
Structure Type MOL
InChI Key SGXMLHIQDCIKDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
2.51
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 C15H11F2N3O2
MW 303.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.07

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